1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine

C20H33N — CID 114458153

IUPAC1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)CC1CCCCCC1
InChIInChI=1S/C20H33N/c1-3-13-21-20(15-18-10-6-4-5-7-11-18)16-19-12-8-9-17(2)14-19/h8-9,12,14,18,20-21H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyUGPYBUVGYGFLFH-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.27
Rot. Bonds7

About 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine

1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine (PubChem CID 114458153) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
PubChem CID114458153
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)CC1CCCCCC1
InChIInChI=1S/C20H33N/c1-3-13-21-20(15-18-10-6-4-5-7-11-18)16-19-12-8-9-17(2)14-19/h8-9,12,14,18,20-21H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyUGPYBUVGYGFLFH-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 105091061
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine (CID 114458153) is 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(C)c1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is UGPYBUVGYGFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-13-21-20(15-18-10-6-4-5-7-11-18)16-19-12-8-9-17(2)14-19/h8-9,12,14,18,20-21H,3-7,10-11,13,15-16H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine?
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 114458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).