4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine

C17H34N2 — CID 57090235

IUPAC4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CCCC2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C17H34N2/c1-12-10-14(6-8-16(12)18)4-3-5-15-7-9-17(19)13(2)11-15/h12-17H,3-11,18-19H2,1-2H3
InChIKeyFUMZNYLNPLJWMG-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.68
Rot. Bonds4

About 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine

4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine (PubChem CID 57090235) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
PubChem CID57090235
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CCCC2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C17H34N2/c1-12-10-14(6-8-16(12)18)4-3-5-15-7-9-17(19)13(2)11-15/h12-17H,3-11,18-19H2,1-2H3
InChIKeyFUMZNYLNPLJWMG-UHFFFAOYSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine (CID 57090235) is 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine is CC1CC(CCCC2CCC(N)C(C)C2)CCC1N.
What is the InChIKey of 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine?
The InChIKey is FUMZNYLNPLJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12-10-14(6-8-16(12)18)4-3-5-15-7-9-17(19)13(2)11-15/h12-17H,3-11,18-19H2,1-2H3.
What are the key properties of 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine?
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 57090235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).