3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine

C19H31N — CID 63453789

IUPAC3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCC1CCCCC1C)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)13-19(17-10-5-4-6-11-17)20-14-18-12-8-7-9-16(18)3/h4-6,10-11,15-16,18-20H,7-9,12-14H2,1-3H3
InChIKeyOOLOTUQEZKWYRK-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds6

About 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine

3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine (PubChem CID 63453789) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
PubChem CID63453789
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCC1CCCCC1C)c1ccccc1
InChIInChI=1S/C19H31N/c1-15(2)13-19(17-10-5-4-6-11-17)20-14-18-12-8-7-9-16(18)3/h4-6,10-11,15-16,18-20H,7-9,12-14H2,1-3H3
InChIKeyOOLOTUQEZKWYRK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
CID 55013566
N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
CID 62977565
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1-phenylbutan-1-amine
CID 60817589
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
CID 107417617
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
N-[(2-methylcyclopentyl)methyl]-2,2-diphenylacetamide
CID 167190715
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine (CID 63453789) is 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine is CC(C)CC(NCC1CCCCC1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is OOLOTUQEZKWYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)13-19(17-10-5-4-6-11-17)20-14-18-12-8-7-9-16(18)3/h4-6,10-11,15-16,18-20H,7-9,12-14H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine?
3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 63453789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).