1-cycloheptyl-3-phenylpropan-1-amine

C16H25N — CID 65399790

IUPAC1-cycloheptyl-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c17-16(15-10-6-1-2-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-13,17H2
InChIKeyZKKGWNTXIIRZIY-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds4

About 1-cycloheptyl-3-phenylpropan-1-amine

1-cycloheptyl-3-phenylpropan-1-amine (PubChem CID 65399790) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cycloheptyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-phenylpropan-1-amine
PubChem CID65399790
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cycloheptyl-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H25N/c17-16(15-10-6-1-2-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-13,17H2
InChIKeyZKKGWNTXIIRZIY-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
3,3-dicyclohexylpropylbenzene
CID 86671113
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
1-cyclopentyl-2-phenylethanamine
CID 50988646
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-phenylpropan-1-amine?
The IUPAC name of 1-cycloheptyl-3-phenylpropan-1-amine (CID 65399790) is 1-cycloheptyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-cycloheptyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-cycloheptyl-3-phenylpropan-1-amine is NC(CCc1ccccc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-phenylpropan-1-amine?
The InChIKey is ZKKGWNTXIIRZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c17-16(15-10-6-1-2-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-13,17H2.
What are the key properties of 1-cycloheptyl-3-phenylpropan-1-amine?
1-cycloheptyl-3-phenylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-phenylpropan-1-amine is sourced from PubChem (CID 65399790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).