(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid

C11H22N2O2 — CID 70316009

IUPAC(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
SMILESCC1(C)CC(N)CC(C)(CNC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeySMTCKTILRVDHGN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.80
Rot. Bonds2

About (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid

(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid (PubChem CID 70316009) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
PubChem CID70316009
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
SMILESCC1(C)CC(N)CC(C)(CNC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeySMTCKTILRVDHGN-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic 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 (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The IUPAC name of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid (CID 70316009) is (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid.
What is the SMILES notation for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The canonical SMILES for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid is CC1(C)CC(N)CC(C)(CNC(=O)O)C1.
What is the InChIKey of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The InChIKey is SMTCKTILRVDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid has a molecular weight of 214.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid is sourced from PubChem (CID 70316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).