N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine

C19H31N — CID 107876129

IUPACN-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNC(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)19(18-12-8-5-9-13-18)14-20-16(3)17-10-6-4-7-11-17/h5,8-9,12-13,15-17,19-20H,4,6-7,10-11,14H2,1-3H3
InChIKeyLJQZCDJAWVZKRD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.98
Rot. Bonds6

About N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine

N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876129) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
PubChem CID107876129
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNC(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)19(18-12-8-5-9-13-18)14-20-16(3)17-10-6-4-7-11-17/h5,8-9,12-13,15-17,19-20H,4,6-7,10-11,14H2,1-3H3
InChIKeyLJQZCDJAWVZKRD-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine (CID 107876129) is N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine is CC(C)C(CNC(C)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine?
The InChIKey is LJQZCDJAWVZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)19(18-12-8-5-9-13-18)14-20-16(3)17-10-6-4-7-11-17/h5,8-9,12-13,15-17,19-20H,4,6-7,10-11,14H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine?
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).