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

C12H24N2O — CID 103923548

IUPAC(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(11(15)13-4)14-10-5-7-12(2,3)8-6-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t9-/m1/s1
InChIKeyWSOJKQRFXJEVBK-SECBINFHSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds3

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

(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide (PubChem CID 103923548) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
PubChem CID103923548
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(11(15)13-4)14-10-5-7-12(2,3)8-6-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t9-/m1/s1
InChIKeyWSOJKQRFXJEVBK-SECBINFHSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
CID 60677160
methyl (2S)-2-[(4,4-dimethylcycloheptyl)amino]propanoate
CID 65084501
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79895294
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
CID 115880295
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055
(2R)-N-methyl-2-[(2-methylcyclobutyl)amino]propanamide
CID 131175832
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide (CID 103923548) is (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide is CNC(=O)[C@@H](C)NC1CCC(C)(C)CC1.
What is the InChIKey of (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
The InChIKey is WSOJKQRFXJEVBK-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(11(15)13-4)14-10-5-7-12(2,3)8-6-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide?
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide is sourced from PubChem (CID 103923548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).