5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride

C9H20ClNO — CID 90019437

IUPAC5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride
SMILESCOC1CC(N)CC(C)(C)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2)5-7(10)4-8(6-9)11-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyAPCFWVWNTRMLQW-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds1

About 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride

5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride (PubChem CID 90019437) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride
PubChem CID90019437
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride
SMILESCOC1CC(N)CC(C)(C)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2)5-7(10)4-8(6-9)11-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyAPCFWVWNTRMLQW-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride (CID 90019437) is 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride is COC1CC(N)CC(C)(C)C1.Cl.
What is the InChIKey of 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is APCFWVWNTRMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2)5-7(10)4-8(6-9)11-3;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride?
5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 90019437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).