[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride

C8H18ClNO — CID 134690925

IUPAC[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NC[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C8H17NO.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h7-8,10H,1-6,9H2;1H/t7-,8+;/m1./s1
InChIKeyNXWSOZRIBWCUAS-WLYNEOFISA-N
MW179.69 g/mol
LogP1.17
Rot. Bonds2

About [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride

[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride (PubChem CID 134690925) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
PubChem CID134690925
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NC[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C8H17NO.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h7-8,10H,1-6,9H2;1H/t7-,8+;/m1./s1
InChIKeyNXWSOZRIBWCUAS-WLYNEOFISA-N
XLogP1.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The IUPAC name of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride (CID 134690925) is [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The canonical SMILES for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride is Cl.NC[C@@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The InChIKey is NXWSOZRIBWCUAS-WLYNEOFISA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h7-8,10H,1-6,9H2;1H/t7-,8+;/m1./s1.
What are the key properties of [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride?
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 134690925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).