[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid

C12H24N2O2 — CID 70962197

IUPAC[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid
SMILESCNCC1C(C)CC(NC(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-8-5-9(14-11(15)16)6-12(2,3)10(8)7-13-4/h8-10,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeyFEAUAIIHJXEEHU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.91
Rot. Bonds3

About [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid

[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid (PubChem CID 70962197) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid
PubChem CID70962197
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid
SMILESCNCC1C(C)CC(NC(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-8-5-9(14-11(15)16)6-12(2,3)10(8)7-13-4/h8-10,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeyFEAUAIIHJXEEHU-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid 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 [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid?
The IUPAC name of [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid (CID 70962197) is [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid is CNCC1C(C)CC(NC(=O)O)CC1(C)C.
What is the InChIKey of [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid?
The InChIKey is FEAUAIIHJXEEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-5-9(14-11(15)16)6-12(2,3)10(8)7-13-4/h8-10,13-14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid?
[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 70962197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).