3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine

C19H31N — CID 64742986

IUPAC3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)CCc2cccc(C)c2)C1
InChIInChI=1S/C19H31N/c1-4-17-8-6-10-19(14-17)20-16(3)11-12-18-9-5-7-15(2)13-18/h5,7,9,13,16-17,19-20H,4,6,8,10-12,14H2,1-3H3
InChIKeyUJWRSWIBXJRXSD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.87
Rot. Bonds6

About 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine

3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine (PubChem CID 64742986) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
PubChem CID64742986
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)CCc2cccc(C)c2)C1
InChIInChI=1S/C19H31N/c1-4-17-8-6-10-19(14-17)20-16(3)11-12-18-9-5-7-15(2)13-18/h5,7,9,13,16-17,19-20H,4,6,8,10-12,14H2,1-3H3
InChIKeyUJWRSWIBXJRXSD-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-ethylcyclohexyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105313791
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
CID 103783805
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
CID 79418060
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine (CID 64742986) is 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine is CCC1CCCC(NC(C)CCc2cccc(C)c2)C1.
What is the InChIKey of 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The InChIKey is UJWRSWIBXJRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-17-8-6-10-19(14-17)20-16(3)11-12-18-9-5-7-15(2)13-18/h5,7,9,13,16-17,19-20H,4,6,8,10-12,14H2,1-3H3.
What are the key properties of 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64742986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).