4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine

C45H95N9 — CID 159668745

IUPAC4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
SMILESCN(C)N1CCN(CC(C)(C)C)CC1.CN1CC2(CCN(CC(C)(C)C)CC2)C1.CN1CC2CC1CN2CC(C)(C)C.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C11H25N3.C11H22N2.C10H22N2/c1-12(2,3)9-15-7-5-13(6-8-15)10-14(4)11-13;1-11(2,3)10-13-6-8-14(9-7-13)12(4)5;1-11(2,3)8-13-7-9-5-10(13)6-12(9)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h5-11H2,1-4H3;6-10H2,1-5H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3
InChIKeyMTTBCPVDHWYDCX-UHFFFAOYSA-N
MW762.32 g/mol
LogP5.89
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine

4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine (PubChem CID 159668745) has the molecular formula C45H95N9 and a molecular weight of 762.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
PubChem CID159668745
Molecular FormulaC45H95N9
Molecular Weight762.32 g/mol
Exact Mass761.77
IUPAC Name4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
SMILESCN(C)N1CCN(CC(C)(C)C)CC1.CN1CC2(CCN(CC(C)(C)C)CC2)C1.CN1CC2CC1CN2CC(C)(C)C.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C11H25N3.C11H22N2.C10H22N2/c1-12(2,3)9-15-7-5-13(6-8-15)10-14(4)11-13;1-11(2,3)10-13-6-8-14(9-7-13)12(4)5;1-11(2,3)8-13-7-9-5-10(13)6-12(9)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h5-11H2,1-4H3;6-10H2,1-5H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3
InChIKeyMTTBCPVDHWYDCX-UHFFFAOYSA-N
XLogP5.89
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.32
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?
The IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine (CID 159668745) is 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine is CN(C)N1CCN(CC(C)(C)C)CC1.CN1CC2(CCN(CC(C)(C)C)CC2)C1.CN1CC2CC1CN2CC(C)(C)C.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?
The InChIKey is MTTBCPVDHWYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C11H25N3.C11H22N2.C10H22N2/c1-12(2,3)9-15-7-5-13(6-8-15)10-14(4)11-13;1-11(2,3)10-13-6-8-14(9-7-13)12(4)5;1-11(2,3)8-13-7-9-5-10(13)6-12(9)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h5-11H2,1-4H3;6-10H2,1-5H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?
4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine has a molecular weight of 762.32 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine is sourced from PubChem (CID 159668745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).