4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine

C21H42N2 — CID 13387416

IUPAC4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CC(CC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N
InChIInChI=1S/C21H42N2/c1-12(2)18-10-16(7-14(5)20(18)22)9-17-8-15(6)21(23)19(11-17)13(3)4/h12-21H,7-11,22-23H2,1-6H3
InChIKeyDJSSSLXGDJCTSI-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.67
Rot. Bonds4

About 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine

4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine (PubChem CID 13387416) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
PubChem CID13387416
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CC(CC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N
InChIInChI=1S/C21H42N2/c1-12(2)18-10-16(7-14(5)20(18)22)9-17-8-15(6)21(23)19(11-17)13(3)4/h12-21H,7-11,22-23H2,1-6H3
InChIKeyDJSSSLXGDJCTSI-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

4,4'-Diaminodicyclohexylmethane
CID 15660
Bis(4-amino-3-methylcyclohexyl)methane
CID 91555
2,2-Bis(4-aminocyclohexyl)propane
CID 76907
Bis-(4-amino-3,5-dimethylcyclohexyl)methane
CID 13387417
2-Cyclohexylcyclohexan-1-amine
CID 221997
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
Cyclohexanamine, 2-((4-aminocyclohexyl)methyl)-
CID 91210
[Bicyclohexyl]-4-amine
CID 243902
Sbb061668
CID 4107113
Di-amine bis(4-aminocyclohexyl)methane
CID 20332287
3,3-Bis(4-aminocyclohexyl)propane-1,2-diamine
CID 70975749
3-((4-Aminocyclohexyl)methyl)-2-methylcyclohexylamine
CID 3020818

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine (CID 13387416) is 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine is CC(C)C1CC(CC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N.
What is the InChIKey of 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The InChIKey is DJSSSLXGDJCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-12(2)18-10-16(7-14(5)20(18)22)9-17-8-15(6)21(23)19(11-17)13(3)4/h12-21H,7-11,22-23H2,1-6H3.
What are the key properties of 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 13387416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).