cycloheptanone;methanamine;hydrochloride

C8H18ClNO — CID 160565670

IUPACcycloheptanone;methanamine;hydrochloride
SMILESCN.Cl.O=C1CCCCCC1
InChIInChI=1S/C7H12O.CH5N.ClH/c8-7-5-3-1-2-4-6-7;1-2;/h1-6H2;2H2,1H3;1H
InChIKeyRILREWXZQQXYJN-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.91
Rot. Bonds

About cycloheptanone;methanamine;hydrochloride

cycloheptanone;methanamine;hydrochloride (PubChem CID 160565670) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is cycloheptanone;methanamine;hydrochloride.

Molecular Properties

Compound Namecycloheptanone;methanamine;hydrochloride
PubChem CID160565670
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Namecycloheptanone;methanamine;hydrochloride
SMILESCN.Cl.O=C1CCCCCC1
InChIInChI=1S/C7H12O.CH5N.ClH/c8-7-5-3-1-2-4-6-7;1-2;/h1-6H2;2H2,1H3;1H
InChIKeyRILREWXZQQXYJN-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptanone;methanamine;hydrochloride?
The IUPAC name of cycloheptanone;methanamine;hydrochloride (CID 160565670) is cycloheptanone;methanamine;hydrochloride.
What is the SMILES notation for cycloheptanone;methanamine;hydrochloride?
The canonical SMILES for cycloheptanone;methanamine;hydrochloride is CN.Cl.O=C1CCCCCC1.
What is the InChIKey of cycloheptanone;methanamine;hydrochloride?
The InChIKey is RILREWXZQQXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.CH5N.ClH/c8-7-5-3-1-2-4-6-7;1-2;/h1-6H2;2H2,1H3;1H.
What are the key properties of cycloheptanone;methanamine;hydrochloride?
cycloheptanone;methanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanone;methanamine;hydrochloride is sourced from PubChem (CID 160565670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).