1-(3-phenylpropyl)azepan-3-imine

C15H22N2 — CID 57199105

IUPAC1-(3-phenylpropyl)azepan-3-imine
SMILES[H]/N=C1\CCCCN(CCCc2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-15-10-4-5-11-17(13-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2/b16-15+
InChIKeyWKBSHADZNCSCNE-FOCLMDBBSA-N
MW230.36 g/mol
LogP3.12
Rot. Bonds4

About 1-(3-phenylpropyl)azepan-3-imine

1-(3-phenylpropyl)azepan-3-imine (PubChem CID 57199105) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(3-phenylpropyl)azepan-3-imine.

Molecular Properties

Compound Name1-(3-phenylpropyl)azepan-3-imine
PubChem CID57199105
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-(3-phenylpropyl)azepan-3-imine
SMILES[H]/N=C1\CCCCN(CCCc2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-15-10-4-5-11-17(13-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2/b16-15+
InChIKeyWKBSHADZNCSCNE-FOCLMDBBSA-N
XLogP3.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylbutyl)piperidin-3-one
CID 114333663
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)azepan-3-imine?
The IUPAC name of 1-(3-phenylpropyl)azepan-3-imine (CID 57199105) is 1-(3-phenylpropyl)azepan-3-imine.
What is the SMILES notation for 1-(3-phenylpropyl)azepan-3-imine?
The canonical SMILES for 1-(3-phenylpropyl)azepan-3-imine is [H]/N=C1\CCCCN(CCCc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylpropyl)azepan-3-imine?
The InChIKey is WKBSHADZNCSCNE-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H22N2/c16-15-10-4-5-11-17(13-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,16H,4-6,9-13H2/b16-15+.
What are the key properties of 1-(3-phenylpropyl)azepan-3-imine?
1-(3-phenylpropyl)azepan-3-imine has a molecular weight of 230.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)azepan-3-imine is sourced from PubChem (CID 57199105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).