2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide

C7H14N4O — CID 146481527

IUPAC2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide
SMILES[H]/N=C(N)/C=C\NC(C)(C)C(N)=O
InChIInChI=1S/C7H14N4O/c1-7(2,6(10)12)11-4-3-5(8)9/h3-4,11H,1-2H3,(H3,8,9)(H2,10,12)/b4-3-
InChIKeyPRUAYDUENDRVKY-ARJAWSKDSA-N
MW170.22 g/mol
LogP-0.71
Rot. Bonds4

About 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide

2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide (PubChem CID 146481527) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide
PubChem CID146481527
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide
SMILES[H]/N=C(N)/C=C\NC(C)(C)C(N)=O
InChIInChI=1S/C7H14N4O/c1-7(2,6(10)12)11-4-3-5(8)9/h3-4,11H,1-2H3,(H3,8,9)(H2,10,12)/b4-3-
InChIKeyPRUAYDUENDRVKY-ARJAWSKDSA-N
XLogP-0.71
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(cyanomethylamino)prop-2-enimidamide
CID 167310395
tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate
CID 155281905
2-(hydroxyamino)-2-methylpropanamide
CID 523203
pent-2-enimidamide
CID 74821450
4,4-dimethyl-3-oxopentanimidamide
CID 71322397
(4-amino-4-iminobut-2-enylidene)tungsten
CID 158073297
penta-2,4-dienimidamide
CID 141285400
[(Z)-4-amino-4-iminobut-2-enylidene]tungsten
CID 58783188
(Z)-4-amino-4-imino-2-(propan-2-ylamino)-N-[2-(propylamino)ethyl]but-2-enamide
CID 145336739
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
2-(but-3-en-2-ylamino)-2-methylpropanamide
CID 107906717
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide (CID 146481527) is 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide is [H]/N=C(N)/C=C\NC(C)(C)C(N)=O.
What is the InChIKey of 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide?
The InChIKey is PRUAYDUENDRVKY-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(2,6(10)12)11-4-3-5(8)9/h3-4,11H,1-2H3,(H3,8,9)(H2,10,12)/b4-3-.
What are the key properties of 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide?
2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide has a molecular weight of 170.22 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-amino-3-iminoprop-1-enyl]amino]-2-methylpropanamide is sourced from PubChem (CID 146481527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).