2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide

C13H26N2O — CID 43085502

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCCC(C)C1C)C(=O)N(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-12(10(9)2)14-11(3)13(16)15(4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyUFUSEXNKABBFRX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

About 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide

2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide (PubChem CID 43085502) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
PubChem CID43085502
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCCC(C)C1C)C(=O)N(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-12(10(9)2)14-11(3)13(16)15(4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyUFUSEXNKABBFRX-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11939503
(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 103902988
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2R)-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]propanamide
CID 92666114
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923388
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923386
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide (CID 43085502) is 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide is CC(NC1CCCC(C)C1C)C(=O)N(C)C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide?
The InChIKey is UFUSEXNKABBFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-6-8-12(10(9)2)14-11(3)13(16)15(4)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide?
2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43085502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).