2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine

C64H133N7 — CID 157118836

IUPAC2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
SMILESCC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C
InChIInChI=1S/C12H23N.C11H24N2.2C11H23N.C10H21N.C9H19N/c1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)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/h9-11H,5-8H2,1-4H3;9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyAHSJTLQCITZKDI-UHFFFAOYSA-N
MW1000.82 g/mol
LogP14.31
Rot. Bonds12

About 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine

2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine (PubChem CID 157118836) has the molecular formula C64H133N7 and a molecular weight of 1000.82 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
PubChem CID157118836
Molecular FormulaC64H133N7
Molecular Weight1000.82 g/mol
Exact Mass1000.06
IUPAC Name2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
SMILESCC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C
InChIInChI=1S/C12H23N.C11H24N2.2C11H23N.C10H21N.C9H19N/c1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)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/h9-11H,5-8H2,1-4H3;9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyAHSJTLQCITZKDI-UHFFFAOYSA-N
XLogP14.31
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.82
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-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

2-[6-[(3R)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 126671192
2-[6-[(2S)-4-(4-tert-butylpiperazin-1-yl)-2-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 126671193
6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-[2,5,5-trimethyl-6-[(3R)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 126671779
2-[6-[(2R)-4-(4-tert-butylpiperazin-1-yl)-2-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 134339695
2-[6-[(3S)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 134339699
6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-[5-[4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 134414395
2-[6-[(3R)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 134492671
2-[5-[(3R)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,4,4-trimethylpentan-2-yl]-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 139475255
2-[5-[(2S)-4-(4-tert-butylpiperazin-1-yl)-2-methylpiperidin-1-yl]-2,4,4-trimethylpentan-2-yl]-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 139475379
(2S,6R)-4-(1-tert-butylazetidin-3-yl)-1-[5-[3-(4-tert-butylpiperidin-1-yl)azetidin-1-yl]-2-methylhexan-2-yl]-2,6-dimethylpiperazine
CID 146548331
1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-2-[2-[(2R,6S)-1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-6-[[4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidin-3-yl]methyl]piperazin-2-yl]ethyl]-6-methylpiperazine
CID 146548787
6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 146549772

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine?
The IUPAC name of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine (CID 157118836) is 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine.
What is the SMILES notation for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine?
The canonical SMILES for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine is CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.
What is the InChIKey of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine?
The InChIKey is AHSJTLQCITZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H24N2.2C11H23N.C10H21N.C9H19N/c1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)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/h9-11H,5-8H2,1-4H3;9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine?
2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine has a molecular weight of 1000.82 g/mol, XLogP of 14.31, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 157118836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).