[1-(aminomethyl)cyclohexyl]methanol;hydrochloride

C8H18ClNO — CID 67800019

IUPAC[1-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NCC1(CO)CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-6-8(7-10)4-2-1-3-5-8;/h10H,1-7,9H2;1H
InChIKeyLCMHDIHWMJFACW-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]methanol;hydrochloride

[1-(aminomethyl)cyclohexyl]methanol;hydrochloride (PubChem CID 67800019) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanol;hydrochloride
PubChem CID67800019
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name[1-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NCC1(CO)CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-6-8(7-10)4-2-1-3-5-8;/h10H,1-7,9H2;1H
InChIKeyLCMHDIHWMJFACW-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanol;hydrochloride (CID 67800019) is [1-(aminomethyl)cyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanol;hydrochloride is Cl.NCC1(CO)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The InChIKey is LCMHDIHWMJFACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-6-8(7-10)4-2-1-3-5-8;/h10H,1-7,9H2;1H.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanol;hydrochloride?
[1-(aminomethyl)cyclohexyl]methanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 67800019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).