3-amino-1-methylazepan-2-one;hydrochloride

C7H15ClN2O — CID 67416250

IUPAC3-amino-1-methylazepan-2-one;hydrochloride
SMILESCN1CCCCC(N)C1=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-9-5-3-2-4-6(8)7(9)10;/h6H,2-5,8H2,1H3;1H
InChIKeyQTOUMYQSDCCTNG-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.38
Rot. Bonds

About 3-amino-1-methylazepan-2-one;hydrochloride

3-amino-1-methylazepan-2-one;hydrochloride (PubChem CID 67416250) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-amino-1-methylazepan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-methylazepan-2-one;hydrochloride
PubChem CID67416250
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name3-amino-1-methylazepan-2-one;hydrochloride
SMILESCN1CCCCC(N)C1=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-9-5-3-2-4-6(8)7(9)10;/h6H,2-5,8H2,1H3;1H
InChIKeyQTOUMYQSDCCTNG-UHFFFAOYSA-N
XLogP0.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylazepan-2-one;hydrochloride?
The IUPAC name of 3-amino-1-methylazepan-2-one;hydrochloride (CID 67416250) is 3-amino-1-methylazepan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-methylazepan-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-methylazepan-2-one;hydrochloride is CN1CCCCC(N)C1=O.Cl.
What is the InChIKey of 3-amino-1-methylazepan-2-one;hydrochloride?
The InChIKey is QTOUMYQSDCCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-9-5-3-2-4-6(8)7(9)10;/h6H,2-5,8H2,1H3;1H.
What are the key properties of 3-amino-1-methylazepan-2-one;hydrochloride?
3-amino-1-methylazepan-2-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylazepan-2-one;hydrochloride is sourced from PubChem (CID 67416250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).