1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride

C18H23ClN2 — CID 45264430

IUPAC1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C18H22N2.ClH/c19-18(20-11-5-1-2-6-12-20)14-15-9-10-16-7-3-4-8-17(16)13-15;/h3-4,7-10,13,19H,1-2,5-6,11-12,14H2;1H/b19-18-;
InChIKeyWGYCNSLXYUBQLW-TVWXOORISA-N
MW302.85 g/mol
LogP4.66
Rot. Bonds2

About 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride

1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride (PubChem CID 45264430) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
PubChem CID45264430
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C18H22N2.ClH/c19-18(20-11-5-1-2-6-12-20)14-15-9-10-16-7-3-4-8-17(16)13-15;/h3-4,7-10,13,19H,1-2,5-6,11-12,14H2;1H/b19-18-;
InChIKeyWGYCNSLXYUBQLW-TVWXOORISA-N
XLogP4.66
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The IUPAC name of 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride (CID 45264430) is 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride.
What is the SMILES notation for 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The canonical SMILES for 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The InChIKey is WGYCNSLXYUBQLW-TVWXOORISA-N. The full InChI is InChI=1S/C18H22N2.ClH/c19-18(20-11-5-1-2-6-12-20)14-15-9-10-16-7-3-4-8-17(16)13-15;/h3-4,7-10,13,19H,1-2,5-6,11-12,14H2;1H/b19-18-;.
What are the key properties of 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride is sourced from PubChem (CID 45264430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).