1-phenyl-N-propylcyclohexan-1-amine

C15H23N — CID 599880

IUPAC1-phenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H23N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
InChIKeyKHXNTQRMMGXPQW-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.85
Rot. Bonds4

About 1-phenyl-N-propylcyclohexan-1-amine

1-phenyl-N-propylcyclohexan-1-amine (PubChem CID 599880) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-phenyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-propylcyclohexan-1-amine
PubChem CID599880
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-phenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H23N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
InChIKeyKHXNTQRMMGXPQW-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-phenyl-N-propylcyclohexan-1-amine (CID 599880) is 1-phenyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-phenyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-phenyl-N-propylcyclohexan-1-amine is CCCNC1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-phenyl-N-propylcyclohexan-1-amine?
The InChIKey is KHXNTQRMMGXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3.
What are the key properties of 1-phenyl-N-propylcyclohexan-1-amine?
1-phenyl-N-propylcyclohexan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 599880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).