4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine

C17H33N — CID 173336695

IUPAC4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine
SMILESNCCC(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C17H33N/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h15-17H,1-14,18H2
InChIKeyXAIIMJYEIJFHLR-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.89
Rot. Bonds6

About 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine

4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine (PubChem CID 173336695) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine
PubChem CID173336695
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine
SMILESNCCC(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C17H33N/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h15-17H,1-14,18H2
InChIKeyXAIIMJYEIJFHLR-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)pentan-1-amine
CID 62503490
2-cycloheptatriacontylethanamine
CID 70967764
4-amino-2-cyclohexylbutanal
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2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1,3-dicyclohexylpropan-2-ylhydrazine
CID 105296165
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide
CID 170598169
1-amino-5-cyclopentylpentan-3-ol
CID 65184761
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine?
The IUPAC name of 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine (CID 173336695) is 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine.
What is the SMILES notation for 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine?
The canonical SMILES for 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine is NCCC(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine?
The InChIKey is XAIIMJYEIJFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h15-17H,1-14,18H2.
What are the key properties of 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine?
4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine is sourced from PubChem (CID 173336695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).