3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine

C18H27N — CID 116518288

IUPAC3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(C2CC2c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-11-19-16-10-6-9-15(12-16)18-13-17(18)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3
InChIKeyTXHLDJQOFLLPIA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.35
Rot. Bonds5

About 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine

3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine (PubChem CID 116518288) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
PubChem CID116518288
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(C2CC2c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-11-19-16-10-6-9-15(12-16)18-13-17(18)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3
InChIKeyTXHLDJQOFLLPIA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
CID 79598709
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
2-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-amine
CID 167142843

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine (CID 116518288) is 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(C2CC2c2ccccc2)C1.
What is the InChIKey of 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine?
The InChIKey is TXHLDJQOFLLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-11-19-16-10-6-9-15(12-16)18-13-17(18)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3.
What are the key properties of 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine?
3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 116518288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).