(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide

C9H18N2O — CID 166078712

IUPAC(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
SMILESCCNC(=O)[C@H](C)/N=C/C(C)C
InChIInChI=1S/C9H18N2O/c1-5-10-9(12)8(4)11-6-7(2)3/h6-8H,5H2,1-4H3,(H,10,12)/b11-6+/t8-/m0/s1
InChIKeyVTDCFUVVZSBNIH-KIFNTFBYSA-N
MW170.26 g/mol
LogP1.24
Rot. Bonds4

About (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide

(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide (PubChem CID 166078712) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
PubChem CID166078712
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
SMILESCCNC(=O)[C@H](C)/N=C/C(C)C
InChIInChI=1S/C9H18N2O/c1-5-10-9(12)8(4)11-6-7(2)3/h6-8H,5H2,1-4H3,(H,10,12)/b11-6+/t8-/m0/s1
InChIKeyVTDCFUVVZSBNIH-KIFNTFBYSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.24
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
(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
CID 155931774
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
(S)-2-[(2,2-Dimethylpropylidene)amino]-N-methylpropanamide
CID 23324287
2-(ethylideneamino)-N-methylpropanamide
CID 23384096
6,7-Dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
CID 23559737
4-acetyl-N-tert-butyl-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53707429
N-tert-butyl-4-(2-methylpropanoyl)-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53795249
3-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethylimino]-2-methylpropanamide
CID 53803188
N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 54090992
3-[2-(2-Aminoethylamino)ethylimino]-2-methylpropanamide
CID 54140832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide?
The IUPAC name of (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide (CID 166078712) is (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide?
The canonical SMILES for (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide is CCNC(=O)[C@H](C)/N=C/C(C)C.
What is the InChIKey of (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide?
The InChIKey is VTDCFUVVZSBNIH-KIFNTFBYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-10-9(12)8(4)11-6-7(2)3/h6-8H,5H2,1-4H3,(H,10,12)/b11-6+/t8-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide?
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide is sourced from PubChem (CID 166078712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).