[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol

C19H37NO — CID 104576136

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3
InChIKeyYFIXMNASVRTGMT-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.36
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol (PubChem CID 104576136) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
PubChem CID104576136
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3
InChIKeyYFIXMNASVRTGMT-UHFFFAOYSA-N
XLogP4.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol 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 [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol (CID 104576136) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol is CC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The InChIKey is YFIXMNASVRTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol has a molecular weight of 295.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 104576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).