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

C9H18ClNO — CID 126801800

IUPAC1-amino-3-cyclohexylpropan-2-one;hydrochloride
SMILESCl.NCC(=O)CC1CCCCC1
InChIInChI=1S/C9H17NO.ClH/c10-7-9(11)6-8-4-2-1-3-5-8;/h8H,1-7,10H2;1H
InChIKeyCKPWEJFBIOCROI-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.91
Rot. Bonds3

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

1-amino-3-cyclohexylpropan-2-one;hydrochloride (PubChem CID 126801800) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-amino-3-cyclohexylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-3-cyclohexylpropan-2-one;hydrochloride
PubChem CID126801800
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-amino-3-cyclohexylpropan-2-one;hydrochloride
SMILESCl.NCC(=O)CC1CCCCC1
InChIInChI=1S/C9H17NO.ClH/c10-7-9(11)6-8-4-2-1-3-5-8;/h8H,1-7,10H2;1H
InChIKeyCKPWEJFBIOCROI-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexylpropan-2-one;hydrochloride?
The IUPAC name of 1-amino-3-cyclohexylpropan-2-one;hydrochloride (CID 126801800) is 1-amino-3-cyclohexylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-amino-3-cyclohexylpropan-2-one;hydrochloride?
The canonical SMILES for 1-amino-3-cyclohexylpropan-2-one;hydrochloride is Cl.NCC(=O)CC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexylpropan-2-one;hydrochloride?
The InChIKey is CKPWEJFBIOCROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-7-9(11)6-8-4-2-1-3-5-8;/h8H,1-7,10H2;1H.
What are the key properties of 1-amino-3-cyclohexylpropan-2-one;hydrochloride?
1-amino-3-cyclohexylpropan-2-one;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexylpropan-2-one;hydrochloride is sourced from PubChem (CID 126801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).