[4-(aminomethyl)cyclohexyl]methanol;hydrochloride

C8H18ClNO — CID 22010081

IUPAC[4-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NCC1CCC(CO)CC1
InChIInChI=1S/C8H17NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h7-8,10H,1-6,9H2;1H
InChIKeyRKXAGLQDXWJBSC-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.17
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]methanol;hydrochloride

[4-(aminomethyl)cyclohexyl]methanol;hydrochloride (PubChem CID 22010081) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]methanol;hydrochloride
PubChem CID22010081
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name[4-(aminomethyl)cyclohexyl]methanol;hydrochloride
SMILESCl.NCC1CCC(CO)CC1
InChIInChI=1S/C8H17NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h7-8,10H,1-6,9H2;1H
InChIKeyRKXAGLQDXWJBSC-UHFFFAOYSA-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 [4-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The IUPAC name of [4-(aminomethyl)cyclohexyl]methanol;hydrochloride (CID 22010081) is [4-(aminomethyl)cyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]methanol;hydrochloride is Cl.NCC1CCC(CO)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]methanol;hydrochloride?
The InChIKey is RKXAGLQDXWJBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h7-8,10H,1-6,9H2;1H.
What are the key properties of [4-(aminomethyl)cyclohexyl]methanol;hydrochloride?
[4-(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 [4-(aminomethyl)cyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 22010081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).