[1-(aminomethyl)cyclohexyl]methanol

C8H17NO — CID 22379486

IUPAC[1-(aminomethyl)cyclohexyl]methanol
SMILESNCC1(CO)CCCCC1
InChIInChI=1S/C8H17NO/c9-6-8(7-10)4-2-1-3-5-8/h10H,1-7,9H2
InChIKeyXEESKQOQUSLLOT-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]methanol

[1-(aminomethyl)cyclohexyl]methanol (PubChem CID 22379486) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanol
PubChem CID22379486
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[1-(aminomethyl)cyclohexyl]methanol
SMILESNCC1(CO)CCCCC1
InChIInChI=1S/C8H17NO/c9-6-8(7-10)4-2-1-3-5-8/h10H,1-7,9H2
InChIKeyXEESKQOQUSLLOT-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
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?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanol (CID 22379486) is [1-(aminomethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanol is NCC1(CO)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanol?
The InChIKey is XEESKQOQUSLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-6-8(7-10)4-2-1-3-5-8/h10H,1-7,9H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanol?
[1-(aminomethyl)cyclohexyl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 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 is sourced from PubChem (CID 22379486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).