3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide

C12H24N2O — CID 91659607

IUPAC3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
SMILESCC1CCCC(C)C1N(C)C(=O)CCN
InChIInChI=1S/C12H24N2O/c1-9-5-4-6-10(2)12(9)14(3)11(15)7-8-13/h9-10,12H,4-8,13H2,1-3H3
InChIKeyDKWPBPXIQQVNGH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide

3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide (PubChem CID 91659607) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
PubChem CID91659607
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
SMILESCC1CCCC(C)C1N(C)C(=O)CCN
InChIInChI=1S/C12H24N2O/c1-9-5-4-6-10(2)12(9)14(3)11(15)7-8-13/h9-10,12H,4-8,13H2,1-3H3
InChIKeyDKWPBPXIQQVNGH-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide (CID 91659607) is 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide is CC1CCCC(C)C1N(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide?
The InChIKey is DKWPBPXIQQVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-5-4-6-10(2)12(9)14(3)11(15)7-8-13/h9-10,12H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide?
3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 91659607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).