2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C118H247N15O2 — CID 158878499

IUPAC2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(C)C.CC(C)CC1CCN(C(C)C)CC1.CC(C)CCOC(C)C.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3.C13H26N2.C12H24N2O.C12H25N.C11H22N2.C11H23N.C10H22N2.C10H21N.C9H19N.C8H18O.C7H16/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)5-6-9-8(3)4;1-6(2)5-7(3)4/h13-15H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyJCSYBOLZGGPXTP-UHFFFAOYSA-N
MW1908.38 g/mol
LogP23.93
Rot. Bonds27

About 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 158878499) has the molecular formula C118H247N15O2 and a molecular weight of 1908.38 g/mol. Its IUPAC name is 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID158878499
Molecular FormulaC118H247N15O2
Molecular Weight1908.38 g/mol
Exact Mass1906.97
IUPAC Name2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(C)C.CC(C)CC1CCN(C(C)C)CC1.CC(C)CCOC(C)C.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3.C13H26N2.C12H24N2O.C12H25N.C11H22N2.C11H23N.C10H22N2.C10H21N.C9H19N.C8H18O.C7H16/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)5-6-9-8(3)4;1-6(2)5-7(3)4/h13-15H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyJCSYBOLZGGPXTP-UHFFFAOYSA-N
XLogP23.93
TPSA74.90 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.38
LogP ≤ 523.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
CID 177011025
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 176568917
2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
CID 176983354
7-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 155218609
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 806442
1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 176568970
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)azetidin-3-ol;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine-4-carbonitrile;1,3-di(propan-2-yl)pyrrolidine
CID 163832780

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 158878499) is 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(C)C.CC(C)CC1CCN(C(C)C)CC1.CC(C)CCOC(C)C.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is JCSYBOLZGGPXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.C13H26N2.C12H24N2O.C12H25N.C11H22N2.C11H23N.C10H22N2.C10H21N.C9H19N.C8H18O.C7H16/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)5-6-9-8(3)4;1-6(2)5-7(3)4/h13-15H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 1908.38 g/mol, XLogP of 23.93, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 158878499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).