(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide

C9H18N2O — CID 18602647

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
SMILESCNC(=O)[C@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(8(12)10-5)11-6-9(2,3)4/h6-7H,1-5H3,(H,10,12)/b11-6+/t7-/m0/s1
InChIKeyPDONUJLASZCICA-KEXZDQNZSA-N
MW170.26 g/mol
LogP1.24
Rot. Bonds2

About (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide

(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide (PubChem CID 18602647) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
PubChem CID18602647
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
SMILESCNC(=O)[C@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(8(12)10-5)11-6-9(2,3)4/h6-7H,1-5H3,(H,10,12)/b11-6+/t7-/m0/s1
InChIKeyPDONUJLASZCICA-KEXZDQNZSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
(S)-2-[(2,2-Dimethylpropylidene)amino]-N-methylpropanamide
CID 23324287
2-(ethylideneamino)-N-methylpropanamide
CID 23384096
2-(2,2-dimethylpropylideneamino)-N-methylacetamide
CID 86129333
(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
CID 88672576
(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide
CID 135143619
(2R)-2-amino-3-imino-N-methylpropanamide
CID 164015910
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712
Butanamide, 3-[(2,2-dimethylpropylidene)amino]-N-methyl-, (R)-
CID 15747178
3-ethyl-6,6-dimethyl-2,3-dihydro-1H-1,4-diazepin-7-one
CID 20527019
6,6-dimethyl-3-propyl-2,3-dihydro-1H-1,4-diazepin-7-one
CID 20527079
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide
CID 63178170

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide (CID 18602647) is (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide is CNC(=O)[C@H](C)/N=C/C(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide?
The InChIKey is PDONUJLASZCICA-KEXZDQNZSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(8(12)10-5)11-6-9(2,3)4/h6-7H,1-5H3,(H,10,12)/b11-6+/t7-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide?
(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide has a molecular weight of 170.26 g/mol, XLogP of 1.24, 2 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-methylpropanamide is sourced from PubChem (CID 18602647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).