(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide

C8H15N3O — CID 178037123

IUPAC(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide
SMILESCC(C)NC(=O)C(/C=C\N)=C/N
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12)7(5-10)3-4-9/h3-6H,9-10H2,1-2H3,(H,11,12)/b4-3-,7-5+
InChIKeyXKZFDMIMAOBOLA-QVXLNCAUSA-N
MW169.23 g/mol
LogP-0.17
Rot. Bonds3

About (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide

(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide (PubChem CID 178037123) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide.

Molecular Properties

Compound Name(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide
PubChem CID178037123
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide
SMILESCC(C)NC(=O)C(/C=C\N)=C/N
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12)7(5-10)3-4-9/h3-6H,9-10H2,1-2H3,(H,11,12)/b4-3-,7-5+
InChIKeyXKZFDMIMAOBOLA-QVXLNCAUSA-N
XLogP-0.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Methacrylamidoethyl ethylene
CID 17774237
3-Pyridinecarboxamide, 1,4-dihydro-N-propyl-
CID 10219598
N-(n-butyl)-1,4-dihydronicotinamide
CID 129657459
Dimethylaminomethylenepyrrol-2-one
CID 129781937
N-ethyl-1-methyl-4H-pyridine-3-carboxamide
CID 14417314
N-but-3-en-2-yl-2-methylprop-2-enamide
CID 17870578
N-ethyl-1,2-dihydropyridine-5-carboxamide
CID 17923769
N-ethyl-2-oxo-1H-pyridine-4-carboxamide
CID 20785125
6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 28826244
N-methyl-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 28887998
2-oxo-N-propyl-1H-pyridine-4-carboxamide
CID 53845818
2-methylidene-N-propan-2-ylbut-3-enamide
CID 55286836

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide?
The IUPAC name of (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide (CID 178037123) is (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide.
What is the SMILES notation for (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide?
The canonical SMILES for (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide is CC(C)NC(=O)C(/C=C\N)=C/N.
What is the InChIKey of (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide?
The InChIKey is XKZFDMIMAOBOLA-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-8(12)7(5-10)3-4-9/h3-6H,9-10H2,1-2H3,(H,11,12)/b4-3-,7-5+.
What are the key properties of (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide?
(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide has a molecular weight of 169.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide is sourced from PubChem (CID 178037123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).