(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide

C12H24N2O — CID 135143619

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

About (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide

(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide (PubChem CID 135143619) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide
PubChem CID135143619
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)/N=C/C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)7-10(11(15)13-6)14-8-12(3,4)5/h8-10H,7H2,1-6H3,(H,13,15)/b14-8+/t10-/m0/s1
InChIKeyNZOOWKDLSRNGOW-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide (CID 135143619) is (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide is CNC(=O)[C@H](CC(C)C)/N=C/C(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide?
The InChIKey is NZOOWKDLSRNGOW-CEITULEQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)7-10(11(15)13-6)14-8-12(3,4)5/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,4-dimethylpentanamide?
(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide 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,4-dimethylpentanamide is sourced from PubChem (CID 135143619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).