1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride

C8H18ClNO — CID 68736026

IUPAC1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride
SMILESCC1CCCC(O)(CN)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7-3-2-4-8(10,5-7)6-9;/h7,10H,2-6,9H2,1H3;1H
InChIKeyWIPZKGJHIABQEA-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds1

About 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride

1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride (PubChem CID 68736026) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride
PubChem CID68736026
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride
SMILESCC1CCCC(O)(CN)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7-3-2-4-8(10,5-7)6-9;/h7,10H,2-6,9H2,1H3;1H
InChIKeyWIPZKGJHIABQEA-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride (CID 68736026) is 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride is CC1CCCC(O)(CN)C1.Cl.
What is the InChIKey of 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride?
The InChIKey is WIPZKGJHIABQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7-3-2-4-8(10,5-7)6-9;/h7,10H,2-6,9H2,1H3;1H.
What are the key properties of 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 68736026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).