(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide

C12H24N2O — CID 88672576

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-7-13-11(15)10(9(2)3)14-8-12(4,5)6/h8-10H,7H2,1-6H3,(H,13,15)/b14-8+/t10-/m0/s1
InChIKeyNGYXRJDIANPRDN-CEITULEQSA-N
MW212.34 g/mol
LogP2.26
Rot. Bonds4

About (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide

(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide (PubChem CID 88672576) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
PubChem CID88672576
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-7-13-11(15)10(9(2)3)14-8-12(4,5)6/h8-10H,7H2,1-6H3,(H,13,15)/b14-8+/t10-/m0/s1
InChIKeyNGYXRJDIANPRDN-CEITULEQSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-N-(2',2'-dimethyl-propylidene)-valine monomethylamide
CID 13491011
(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
CID 18602647
(2S)-2-amino-N-(4-aminobutyl)-3-methylbutanamide
CID 61275898
N-Butyl L-Valinamide
CID 11126743
2-Amino-N-isopropyl-3-methylbutanamide
CID 14723624
(2R)-2-amino-3-methyl-N-propan-2-ylbutanamide
CID 14723625
2-amino-3,3-dimethyl-N-propylbutanamide
CID 17809005
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-amino-3-methyl-N-propylbutanamide
CID 20596407
3-methyl-2-(methylamino)-N-propan-2-ylbutanamide
CID 21365844
2-amino-N-butyl-3-methylbutanamide
CID 21522462
2-Amino-N-isobutyl-3-methylbutanamide hydrochloride
CID 21619088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide (CID 88672576) is (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide is CCNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide?
The InChIKey is NGYXRJDIANPRDN-CEITULEQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7-13-11(15)10(9(2)3)14-8-12(4,5)6/h8-10H,7H2,1-6H3,(H,13,15)/b14-8+/t10-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide?
(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 88672576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).