N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine

C29H58N2 — CID 143964132

IUPACN'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine
SMILESCCC[C@]1(C)C(CCCCNCCCCN)CCC1C(C)CCC1CCCCC1(C)C
InChIInChI=1S/C29H58N2/c1-6-19-29(5)26(14-8-11-22-31-23-12-10-21-30)17-18-27(29)24(2)15-16-25-13-7-9-20-28(25,3)4/h24-27,31H,6-23,30H2,1-5H3/t24?,25?,26?,27?,29-/m1/s1
InChIKeyRSOUFUYCELBFOT-XRIHTKFPSA-N
MW434.80 g/mol
LogP7.95
Rot. Bonds15

About N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine

N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine (PubChem CID 143964132) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine
PubChem CID143964132
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC NameN'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine
SMILESCCC[C@]1(C)C(CCCCNCCCCN)CCC1C(C)CCC1CCCCC1(C)C
InChIInChI=1S/C29H58N2/c1-6-19-29(5)26(14-8-11-22-31-23-12-10-21-30)17-18-27(29)24(2)15-16-25-13-7-9-20-28(25,3)4/h24-27,31H,6-23,30H2,1-5H3/t24?,25?,26?,27?,29-/m1/s1
InChIKeyRSOUFUYCELBFOT-XRIHTKFPSA-N
XLogP7.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine 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 N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine?
The IUPAC name of N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine (CID 143964132) is N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine.
What is the SMILES notation for N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine?
The canonical SMILES for N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine is CCC[C@]1(C)C(CCCCNCCCCN)CCC1C(C)CCC1CCCCC1(C)C.
What is the InChIKey of N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine?
The InChIKey is RSOUFUYCELBFOT-XRIHTKFPSA-N. The full InChI is InChI=1S/C29H58N2/c1-6-19-29(5)26(14-8-11-22-31-23-12-10-21-30)17-18-27(29)24(2)15-16-25-13-7-9-20-28(25,3)4/h24-27,31H,6-23,30H2,1-5H3/t24?,25?,26?,27?,29-/m1/s1.
What are the key properties of N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine?
N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine has a molecular weight of 434.80 g/mol, XLogP of 7.95, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-3-[4-(2,2-dimethylcyclohexyl)butan-2-yl]-2-methyl-2-propylcyclopentyl]butyl]butane-1,4-diamine is sourced from PubChem (CID 143964132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).