1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol

C11H23NO — CID 79138945

IUPAC1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
SMILESCC(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-9(13)11(8-12)6-4-10(2,3)5-7-11/h9,13H,4-8,12H2,1-3H3
InChIKeyGMLPGVZPHHLKJY-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds2

About 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol (PubChem CID 79138945) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
PubChem CID79138945
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
SMILESCC(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-9(13)11(8-12)6-4-10(2,3)5-7-11/h9,13H,4-8,12H2,1-3H3
InChIKeyGMLPGVZPHHLKJY-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol?
The IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol (CID 79138945) is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol is CC(O)C1(CN)CCC(C)(C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol?
The InChIKey is GMLPGVZPHHLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(13)11(8-12)6-4-10(2,3)5-7-11/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol?
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol is sourced from PubChem (CID 79138945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).