N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide

C10H16N2O — CID 131997370

IUPACN,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide
SMILESC=C(C)/N=C(\C=C(C)C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,3H2,1-2,4-5H3,(H,11,13)/b12-9+
InChIKeyRBMQCCGKYUYMBI-FMIVXFBMSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds3

About N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide

N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide (PubChem CID 131997370) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide.

Molecular Properties

Compound NameN,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide
PubChem CID131997370
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide
SMILESC=C(C)/N=C(\C=C(C)C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,3H2,1-2,4-5H3,(H,11,13)/b12-9+
InChIKeyRBMQCCGKYUYMBI-FMIVXFBMSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
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

N,3-dimethyl-2H-pyrrole-5-carboxamide
CID 68063512
5-amino-N,4,5-trimethylpyrrole-2-carboxamide
CID 68087536
(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
CID 118972787
(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
CID 121329897
N,4-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 163616511
(Z)-4-amino-2-ethylimino-N-methylpent-3-enamide
CID 164587902
2-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]imino-N-methylpropanamide
CID 166712349
2-(2,4-dimethylpenta-1,3-dien-3-ylimino)-N-methylpropanamide
CID 166944354
ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
CID 168913345
(3Z)-2-ethenylimino-N,4-dimethylhexa-3,5-dienamide
CID 170227623
[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium
CID 171065734
ethane;(E)-4-fluoro-N-methyl-2-methyliminopent-3-enamide
CID 171635642

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide?
The IUPAC name of N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide (CID 131997370) is N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide.
What is the SMILES notation for N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide?
The canonical SMILES for N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide is C=C(C)/N=C(\C=C(C)C)C(=O)NC.
What is the InChIKey of N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide?
The InChIKey is RBMQCCGKYUYMBI-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,3H2,1-2,4-5H3,(H,11,13)/b12-9+.
What are the key properties of N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide?
N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-prop-1-en-2-yliminopent-3-enamide is sourced from PubChem (CID 131997370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).