[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol

C17H34N2O2 — CID 102932236

IUPAC[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(C2CC(C(C)(C)C)CCC2CN)CC(CO)O1
InChIInChI=1S/C17H34N2O2/c1-12-9-19(10-15(11-20)21-12)16-7-14(17(2,3)4)6-5-13(16)8-18/h12-16,20H,5-11,18H2,1-4H3
InChIKeyYUCQTVJTRWFRSO-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.86
Rot. Bonds3

About [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol

[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932236) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932236
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(C2CC(C(C)(C)C)CCC2CN)CC(CO)O1
InChIInChI=1S/C17H34N2O2/c1-12-9-19(10-15(11-20)21-12)16-7-14(17(2,3)4)6-5-13(16)8-18/h12-16,20H,5-11,18H2,1-4H3
InChIKeyYUCQTVJTRWFRSO-UHFFFAOYSA-N
XLogP1.86
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]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 [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol (CID 102932236) is [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol is CC1CN(C2CC(C(C)(C)C)CCC2CN)CC(CO)O1.
What is the InChIKey of [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is YUCQTVJTRWFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12-9-19(10-15(11-20)21-12)16-7-14(17(2,3)4)6-5-13(16)8-18/h12-16,20H,5-11,18H2,1-4H3.
What are the key properties of [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 298.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).