1-[(1R)-1-phenylpropyl]azepane

C15H23N — CID 97315480

IUPAC1-[(1R)-1-phenylpropyl]azepane
SMILESCC[C@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H23N/c1-2-15(14-10-6-5-7-11-14)16-12-8-3-4-9-13-16/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3/t15-/m1/s1
InChIKeyQVLRPASXKMKQHB-OAHLLOKOSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds3

About 1-[(1R)-1-phenylpropyl]azepane

1-[(1R)-1-phenylpropyl]azepane (PubChem CID 97315480) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(1R)-1-phenylpropyl]azepane.

Molecular Properties

Compound Name1-[(1R)-1-phenylpropyl]azepane
PubChem CID97315480
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(1R)-1-phenylpropyl]azepane
SMILESCC[C@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H23N/c1-2-15(14-10-6-5-7-11-14)16-12-8-3-4-9-13-16/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3/t15-/m1/s1
InChIKeyQVLRPASXKMKQHB-OAHLLOKOSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1R)-1-phenylpropyl]azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
lithium 1-(1-phenylbutyl)piperidine
CID 87565541
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
CID 95345707
3-phenyl-1-(1-phenylpropyl)piperidin-3-ol
CID 18621526

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylpropyl]azepane?
The IUPAC name of 1-[(1R)-1-phenylpropyl]azepane (CID 97315480) is 1-[(1R)-1-phenylpropyl]azepane.
What is the SMILES notation for 1-[(1R)-1-phenylpropyl]azepane?
The canonical SMILES for 1-[(1R)-1-phenylpropyl]azepane is CC[C@H](c1ccccc1)N1CCCCCC1.
What is the InChIKey of 1-[(1R)-1-phenylpropyl]azepane?
The InChIKey is QVLRPASXKMKQHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N/c1-2-15(14-10-6-5-7-11-14)16-12-8-3-4-9-13-16/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylpropyl]azepane?
1-[(1R)-1-phenylpropyl]azepane has a molecular weight of 217.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylpropyl]azepane is sourced from PubChem (CID 97315480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).