4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine

C20H40N2 — CID 20567354

IUPAC4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCCC(C1CC(C)C(N)C(C)C1)C1CC(C)C(N)C(C)C1
InChIInChI=1S/C20H40N2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h12-20H,6-11,21-22H2,1-5H3
InChIKeyMLHMPAFHZJKIQN-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.42
Rot. Bonds4

About 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine

4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 20567354) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID20567354
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCCC(C1CC(C)C(N)C(C)C1)C1CC(C)C(N)C(C)C1
InChIInChI=1S/C20H40N2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h12-20H,6-11,21-22H2,1-5H3
InChIKeyMLHMPAFHZJKIQN-UHFFFAOYSA-N
XLogP4.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine (CID 20567354) is 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine is CCCC(C1CC(C)C(N)C(C)C1)C1CC(C)C(N)C(C)C1.
What is the InChIKey of 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is MLHMPAFHZJKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h12-20H,6-11,21-22H2,1-5H3.
What are the key properties of 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine?
4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3,5-dimethylcyclohexyl)butyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 20567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).