(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide

C12H24N2O — CID 104537061

IUPAC(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1CCC(C)CC1C
InChIInChI=1S/C12H24N2O/c1-8-5-6-11(9(2)7-8)14-10(3)12(15)13-4/h8-11,14H,5-7H2,1-4H3,(H,13,15)/t8?,9?,10-,11?/m1/s1
InChIKeyJPXWNYXVJTUPFR-VEKQPKGLSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds3

About (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide

(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide (PubChem CID 104537061) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
PubChem CID104537061
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1CCC(C)CC1C
InChIInChI=1S/C12H24N2O/c1-8-5-6-11(9(2)7-8)14-10(3)12(15)13-4/h8-11,14H,5-7H2,1-4H3,(H,13,15)/t8?,9?,10-,11?/m1/s1
InChIKeyJPXWNYXVJTUPFR-VEKQPKGLSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide (CID 104537061) is (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide is CNC(=O)[C@@H](C)NC1CCC(C)CC1C.
What is the InChIKey of (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The InChIKey is JPXWNYXVJTUPFR-VEKQPKGLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8-5-6-11(9(2)7-8)14-10(3)12(15)13-4/h8-11,14H,5-7H2,1-4H3,(H,13,15)/t8?,9?,10-,11?/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide is sourced from PubChem (CID 104537061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).