3-cycloheptyl-1-phenyl-N-propylpropan-1-amine

C19H31N — CID 82924096

IUPAC3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-2-16-20-19(18-12-8-5-9-13-18)15-14-17-10-6-3-4-7-11-17/h5,8-9,12-13,17,19-20H,2-4,6-7,10-11,14-16H2,1H3
InChIKeyJKFLOMRASZDDKR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.48
Rot. Bonds7

About 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine

3-cycloheptyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 82924096) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
PubChem CID82924096
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-2-16-20-19(18-12-8-5-9-13-18)15-14-17-10-6-3-4-7-11-17/h5,8-9,12-13,17,19-20H,2-4,6-7,10-11,14-16H2,1H3
InChIKeyJKFLOMRASZDDKR-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 43494349
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine (CID 82924096) is 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine is CCCNC(CCC1CCCCCC1)c1ccccc1.
What is the InChIKey of 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is JKFLOMRASZDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-2-16-20-19(18-12-8-5-9-13-18)15-14-17-10-6-3-4-7-11-17/h5,8-9,12-13,17,19-20H,2-4,6-7,10-11,14-16H2,1H3.
What are the key properties of 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine?
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 82924096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).