N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine

C20H33N — CID 65086617

IUPACN-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C20H33N/c1-4-9-17-10-8-13-19(15-14-17)21-20(16(2)3)18-11-6-5-7-12-18/h5-7,11-12,16-17,19-21H,4,8-10,13-15H2,1-3H3
InChIKeyIDGLIPCZNZXDRT-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.72
Rot. Bonds6

About N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine

N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine (PubChem CID 65086617) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
PubChem CID65086617
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C20H33N/c1-4-9-17-10-8-13-19(15-14-17)21-20(16(2)3)18-11-6-5-7-12-18/h5-7,11-12,16-17,19-21H,4,8-10,13-15H2,1-3H3
InChIKeyIDGLIPCZNZXDRT-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine (CID 65086617) is N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NC(c2ccccc2)C(C)C)CC1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine?
The InChIKey is IDGLIPCZNZXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-9-17-10-8-13-19(15-14-17)21-20(16(2)3)18-11-6-5-7-12-18/h5-7,11-12,16-17,19-21H,4,8-10,13-15H2,1-3H3.
What are the key properties of N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine?
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).