1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine

C21H42N2 — CID 23039124

IUPAC1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(C)C(N)(CC2(N)CC(C(C)C)CCC2C)C1
InChIInChI=1S/C21H42N2/c1-14(2)18-9-7-16(5)20(22,11-18)13-21(23)12-19(15(3)4)10-8-17(21)6/h14-19H,7-13,22-23H2,1-6H3
InChIKeyHCUQBIXDBLFZQA-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.96
Rot. Bonds4

About 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine

1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine (PubChem CID 23039124) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine
PubChem CID23039124
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(C)C(N)(CC2(N)CC(C(C)C)CCC2C)C1
InChIInChI=1S/C21H42N2/c1-14(2)18-9-7-16(5)20(22,11-18)13-21(23)12-19(15(3)4)10-8-17(21)6/h14-19H,7-13,22-23H2,1-6H3
InChIKeyHCUQBIXDBLFZQA-UHFFFAOYSA-N
XLogP4.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-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 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine (CID 23039124) is 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(C)C(N)(CC2(N)CC(C(C)C)CCC2C)C1.
What is the InChIKey of 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine?
The InChIKey is HCUQBIXDBLFZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-14(2)18-9-7-16(5)20(22,11-18)13-21(23)12-19(15(3)4)10-8-17(21)6/h14-19H,7-13,22-23H2,1-6H3.
What are the key properties of 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine?
1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-5-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 23039124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).