(2S)-2-naphthalen-1-ylazepane

C16H19N — CID 7048283

IUPAC(2S)-2-naphthalen-1-ylazepane
SMILESc1ccc2c([C@@H]3CCCCCN3)cccc2c1
InChIInChI=1S/C16H19N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,16-17H,1-2,5,11-12H2/t16-/m0/s1
InChIKeyQMIHOXXZQNCPJA-INIZCTEOSA-N
MW225.34 g/mol
LogP4.04
Rot. Bonds1

About (2S)-2-naphthalen-1-ylazepane

(2S)-2-naphthalen-1-ylazepane (PubChem CID 7048283) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-ylazepane.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-ylazepane
PubChem CID7048283
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-naphthalen-1-ylazepane
SMILESc1ccc2c([C@@H]3CCCCCN3)cccc2c1
InChIInChI=1S/C16H19N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,16-17H,1-2,5,11-12H2/t16-/m0/s1
InChIKeyQMIHOXXZQNCPJA-INIZCTEOSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-ylpiperidine
CID 4209523
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(2-cyclopentylphenyl)piperidine
CID 115005914
4-(azepan-2-yl)quinoline
CID 81147055
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
2-[2-(fluoromethyl)phenyl]piperidine
CID 84664975
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
1-piperidin-2-ylnaphthalen-2-ol
CID 53391922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-ylazepane?
The IUPAC name of (2S)-2-naphthalen-1-ylazepane (CID 7048283) is (2S)-2-naphthalen-1-ylazepane.
What is the SMILES notation for (2S)-2-naphthalen-1-ylazepane?
The canonical SMILES for (2S)-2-naphthalen-1-ylazepane is c1ccc2c([C@@H]3CCCCCN3)cccc2c1.
What is the InChIKey of (2S)-2-naphthalen-1-ylazepane?
The InChIKey is QMIHOXXZQNCPJA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,16-17H,1-2,5,11-12H2/t16-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-ylazepane?
(2S)-2-naphthalen-1-ylazepane has a molecular weight of 225.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-ylazepane is sourced from PubChem (CID 7048283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).