4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine

C19H31N — CID 65083894

IUPAC4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
SMILESCCC1CCCC(NC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H31N/c1-4-16-9-8-12-18(14-13-16)20-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3
InChIKeyXPNHTGKRNCPUKL-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.33
Rot. Bonds5

About 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine

4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine (PubChem CID 65083894) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
PubChem CID65083894
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
SMILESCCC1CCCC(NC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H31N/c1-4-16-9-8-12-18(14-13-16)20-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3
InChIKeyXPNHTGKRNCPUKL-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine (CID 65083894) is 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine is CCC1CCCC(NC(c2ccccc2)C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine?
The InChIKey is XPNHTGKRNCPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16-9-8-12-18(14-13-16)20-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3.
What are the key properties of 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine?
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65083894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).