2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide

C12H19N5O — CID 114176658

IUPAC2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
SMILESCC(C)C(/N=C(\NN)Nc1ccccc1)C(N)=O
InChIInChI=1S/C12H19N5O/c1-8(2)10(11(13)18)16-12(17-14)15-9-6-4-3-5-7-9/h3-8,10H,14H2,1-2H3,(H2,13,18)(H2,15,16,17)
InChIKeyZVNGDCGSSUIMMW-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.43
Rot. Bonds4

About 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide

2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide (PubChem CID 114176658) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
PubChem CID114176658
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
SMILESCC(C)C(/N=C(\NN)Nc1ccccc1)C(N)=O
InChIInChI=1S/C12H19N5O/c1-8(2)10(11(13)18)16-12(17-14)15-9-6-4-3-5-7-9/h3-8,10H,14H2,1-2H3,(H2,13,18)(H2,15,16,17)
InChIKeyZVNGDCGSSUIMMW-UHFFFAOYSA-N
XLogP0.43
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
CID 116515342
1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
CID 116515233
3-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
CID 106098948
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
1-amino-3-phenyl-2-propylguanidine
CID 116511382
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
CID 116512239

Frequently Asked Questions

What is the IUPAC name of 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide?
The IUPAC name of 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide (CID 114176658) is 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide is CC(C)C(/N=C(\NN)Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide?
The InChIKey is ZVNGDCGSSUIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)10(11(13)18)16-12(17-14)15-9-6-4-3-5-7-9/h3-8,10H,14H2,1-2H3,(H2,13,18)(H2,15,16,17).
What are the key properties of 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide?
2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide has a molecular weight of 249.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide is sourced from PubChem (CID 114176658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).