N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride

C15H25ClN2 — CID 11971660

IUPACN-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
SMILESCC(Cc1ccccc1)NN1CCCCCC1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-14(13-15-9-5-4-6-10-15)16-17-11-7-2-3-8-12-17;/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3;1H
InChIKeyVBNKDROJZZUHGM-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.42
Rot. Bonds4

About N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride

N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride (PubChem CID 11971660) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
PubChem CID11971660
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
SMILESCC(Cc1ccccc1)NN1CCCCCC1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-14(13-15-9-5-4-6-10-15)16-17-11-7-2-3-8-12-17;/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3;1H
InChIKeyVBNKDROJZZUHGM-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-1-phenylpropan-2-amine
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1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-(1-phenylpropan-2-yl)thiohydroxylamine
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(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride?
The IUPAC name of N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride (CID 11971660) is N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride.
What is the SMILES notation for N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride?
The canonical SMILES for N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride is CC(Cc1ccccc1)NN1CCCCCC1.Cl.
What is the InChIKey of N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride?
The InChIKey is VBNKDROJZZUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-14(13-15-9-5-4-6-10-15)16-17-11-7-2-3-8-12-17;/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3;1H.
What are the key properties of N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride?
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride is sourced from PubChem (CID 11971660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).