3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide

C11H22N2O — CID 62782994

IUPAC3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C11H22N2O/c1-4-13(3)11(14)9-6-5-8(2)10(12)7-9/h8-10H,4-7,12H2,1-3H3
InChIKeyXWBYEBPTYLZTDY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide

3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 62782994) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID62782994
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C11H22N2O/c1-4-13(3)11(14)9-6-5-8(2)10(12)7-9/h8-10H,4-7,12H2,1-3H3
InChIKeyXWBYEBPTYLZTDY-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide (CID 62782994) is 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide is CCN(C)C(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is XWBYEBPTYLZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(3)11(14)9-6-5-8(2)10(12)7-9/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide?
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).