2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide

C12H24N2O — CID 81384429

IUPAC2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(11-7-5-4-6-8-11)14-10(2)12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyIBNNGZVVEXHSEG-RGURZIINSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds4

About 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide

2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide (PubChem CID 81384429) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
PubChem CID81384429
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(11-7-5-4-6-8-11)14-10(2)12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyIBNNGZVVEXHSEG-RGURZIINSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
N-tert-butyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394701
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide (CID 81384429) is 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide is CNC(=O)C(C)N[C@@H](C)C1CCCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide?
The InChIKey is IBNNGZVVEXHSEG-RGURZIINSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(11-7-5-4-6-8-11)14-10(2)12(15)13-3/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10?/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide?
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 81384429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).