(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride

C9H20ClNO — CID 126796282

IUPAC(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride
SMILESCC1(C)CCCC(N)(CO)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)4-3-5-9(10,6-8)7-11;/h11H,3-7,10H2,1-2H3;1H
InChIKeyKGFPXICPYDHSAR-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds1

About (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride

(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride (PubChem CID 126796282) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride
PubChem CID126796282
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride
SMILESCC1(C)CCCC(N)(CO)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)4-3-5-9(10,6-8)7-11;/h11H,3-7,10H2,1-2H3;1H
InChIKeyKGFPXICPYDHSAR-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride?
The IUPAC name of (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride (CID 126796282) is (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride.
What is the SMILES notation for (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride?
The canonical SMILES for (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride is CC1(C)CCCC(N)(CO)C1.Cl.
What is the InChIKey of (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride?
The InChIKey is KGFPXICPYDHSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-8(2)4-3-5-9(10,6-8)7-11;/h11H,3-7,10H2,1-2H3;1H.
What are the key properties of (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride?
(1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3,3-dimethylcyclohexyl)methanol;hydrochloride is sourced from PubChem (CID 126796282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).