4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine

C19H38N2 — CID 70405451

IUPAC4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine
SMILESCCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C19H38N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h15-18H,3-14,20-21H2,1-2H3
InChIKeyJMRLZFOOTCLOCI-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.61
Rot. Bonds6

About 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine

4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine (PubChem CID 70405451) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine
PubChem CID70405451
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine
SMILESCCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C19H38N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h15-18H,3-14,20-21H2,1-2H3
InChIKeyJMRLZFOOTCLOCI-UHFFFAOYSA-N
XLogP4.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine 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-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine (CID 70405451) is 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine is CCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine?
The InChIKey is JMRLZFOOTCLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h15-18H,3-14,20-21H2,1-2H3.
What are the key properties of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine?
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 70405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).