4-methoxy-N-methylcyclohexan-1-amine;hydrochloride

C8H18ClNO — CID 54593058

IUPAC4-methoxy-N-methylcyclohexan-1-amine;hydrochloride
SMILESCNC1CCC(OC)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H
InChIKeyVSUFVISYKAHGKZ-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds2

About 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride

4-methoxy-N-methylcyclohexan-1-amine;hydrochloride (PubChem CID 54593058) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-methylcyclohexan-1-amine;hydrochloride
PubChem CID54593058
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-methoxy-N-methylcyclohexan-1-amine;hydrochloride
SMILESCNC1CCC(OC)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H
InChIKeyVSUFVISYKAHGKZ-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride (CID 54593058) is 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride is CNC1CCC(OC)CC1.Cl.
What is the InChIKey of 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is VSUFVISYKAHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride?
4-methoxy-N-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 54593058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).