3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride

C9H18ClNO — CID 55255828

IUPAC3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)C1=CCCCC1
InChIInChI=1S/C9H17NO.ClH/c10-9(6-7-11)8-4-2-1-3-5-8;/h4,9,11H,1-3,5-7,10H2;1H
InChIKeyQKCLPCVGUWYDGS-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride

3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride (PubChem CID 55255828) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride
PubChem CID55255828
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)C1=CCCCC1
InChIInChI=1S/C9H17NO.ClH/c10-9(6-7-11)8-4-2-1-3-5-8;/h4,9,11H,1-3,5-7,10H2;1H
InChIKeyQKCLPCVGUWYDGS-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride (CID 55255828) is 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride is Cl.NC(CCO)C1=CCCCC1.
What is the InChIKey of 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride?
The InChIKey is QKCLPCVGUWYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-9(6-7-11)8-4-2-1-3-5-8;/h4,9,11H,1-3,5-7,10H2;1H.
What are the key properties of 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride?
3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(cyclohexen-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 55255828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).