(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride

C8H18ClNO — CID 155887959

IUPAC(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@@]1(O)CCCCC1CN.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(10)5-3-2-4-7(8)6-9;/h7,10H,2-6,9H2,1H3;1H/t7?,8-;/m1./s1
InChIKeyPPCAQDFHSSUSTM-LTTWWRRRSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds1

About (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride

(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride (PubChem CID 155887959) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
PubChem CID155887959
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
SMILESC[C@@]1(O)CCCCC1CN.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(10)5-3-2-4-7(8)6-9;/h7,10H,2-6,9H2,1H3;1H/t7?,8-;/m1./s1
InChIKeyPPCAQDFHSSUSTM-LTTWWRRRSA-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 (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride?
The IUPAC name of (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride (CID 155887959) is (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride is C[C@@]1(O)CCCCC1CN.Cl.
What is the InChIKey of (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride?
The InChIKey is PPCAQDFHSSUSTM-LTTWWRRRSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(10)5-3-2-4-7(8)6-9;/h7,10H,2-6,9H2,1H3;1H/t7?,8-;/m1./s1.
What are the key properties of (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride?
(1R)-2-(aminomethyl)-1-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 (1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 155887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).