2-(aminomethyl)-5-tert-butylcyclohexan-1-ol

C11H23NO — CID 43428937

IUPAC2-(aminomethyl)-5-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(CN)C(O)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h8-10,13H,4-7,12H2,1-3H3
InChIKeyKOLCRQFJSQKXLS-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds1

About 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol

2-(aminomethyl)-5-tert-butylcyclohexan-1-ol (PubChem CID 43428937) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butylcyclohexan-1-ol
PubChem CID43428937
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(aminomethyl)-5-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(CN)C(O)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h8-10,13H,4-7,12H2,1-3H3
InChIKeyKOLCRQFJSQKXLS-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol (CID 43428937) is 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol is CC(C)(C)C1CCC(CN)C(O)C1.
What is the InChIKey of 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol?
The InChIKey is KOLCRQFJSQKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h8-10,13H,4-7,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol?
2-(aminomethyl)-5-tert-butylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 43428937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).