4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine

C16H32N2 — CID 54467205

IUPAC4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(CC2CC(C)C(N)C(C)C2)CCC1N
InChIInChI=1S/C16H32N2/c1-10-6-13(4-5-15(10)17)9-14-7-11(2)16(18)12(3)8-14/h10-16H,4-9,17-18H2,1-3H3
InChIKeyXFTJVGHASLYAGP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.15
Rot. Bonds2

About 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine

4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 54467205) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID54467205
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(CC2CC(C)C(N)C(C)C2)CCC1N
InChIInChI=1S/C16H32N2/c1-10-6-13(4-5-15(10)17)9-14-7-11(2)16(18)12(3)8-14/h10-16H,4-9,17-18H2,1-3H3
InChIKeyXFTJVGHASLYAGP-UHFFFAOYSA-N
XLogP3.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine (CID 54467205) is 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine is CC1CC(CC2CC(C)C(N)C(C)C2)CCC1N.
What is the InChIKey of 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is XFTJVGHASLYAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-10-6-13(4-5-15(10)17)9-14-7-11(2)16(18)12(3)8-14/h10-16H,4-9,17-18H2,1-3H3.
What are the key properties of 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 54467205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).