N-(2-cycloheptyl-1-phenylethyl)propan-1-amine

C18H29N — CID 114457602

IUPACN-(2-cycloheptyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-2-14-19-18(17-12-8-5-9-13-17)15-16-10-6-3-4-7-11-16/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyUXZFFLNGVHJVGG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.09
Rot. Bonds6

About N-(2-cycloheptyl-1-phenylethyl)propan-1-amine

N-(2-cycloheptyl-1-phenylethyl)propan-1-amine (PubChem CID 114457602) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-cycloheptyl-1-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cycloheptyl-1-phenylethyl)propan-1-amine
PubChem CID114457602
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-cycloheptyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-2-14-19-18(17-12-8-5-9-13-17)15-16-10-6-3-4-7-11-16/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyUXZFFLNGVHJVGG-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115847181
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyl-1-phenylethyl)propan-1-amine?
The IUPAC name of N-(2-cycloheptyl-1-phenylethyl)propan-1-amine (CID 114457602) is N-(2-cycloheptyl-1-phenylethyl)propan-1-amine.
What is the SMILES notation for N-(2-cycloheptyl-1-phenylethyl)propan-1-amine?
The canonical SMILES for N-(2-cycloheptyl-1-phenylethyl)propan-1-amine is CCCNC(CC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cycloheptyl-1-phenylethyl)propan-1-amine?
The InChIKey is UXZFFLNGVHJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-14-19-18(17-12-8-5-9-13-17)15-16-10-6-3-4-7-11-16/h5,8-9,12-13,16,18-19H,2-4,6-7,10-11,14-15H2,1H3.
What are the key properties of N-(2-cycloheptyl-1-phenylethyl)propan-1-amine?
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyl-1-phenylethyl)propan-1-amine is sourced from PubChem (CID 114457602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).