1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine

C15H31N — CID 107188380

IUPAC1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1CCCCC1(C)C
InChIInChI=1S/C15H31N/c1-5-8-12(2)11-14(16)13-9-6-7-10-15(13,3)4/h12-14H,5-11,16H2,1-4H3
InChIKeyVBFQIMYETUALDH-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.36
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine

1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine (PubChem CID 107188380) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
PubChem CID107188380
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1CCCCC1(C)C
InChIInChI=1S/C15H31N/c1-5-8-12(2)11-14(16)13-9-6-7-10-15(13,3)4/h12-14H,5-11,16H2,1-4H3
InChIKeyVBFQIMYETUALDH-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine (CID 107188380) is 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine is CCCC(C)CC(N)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine?
The InChIKey is VBFQIMYETUALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-8-12(2)11-14(16)13-9-6-7-10-15(13,3)4/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine?
1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine is sourced from PubChem (CID 107188380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).