N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide

C5H9N3 — CID 118973092

IUPACN-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C/N
InChIInChI=1S/C5H9N3/c1-5(2-3-6)8-4-7/h2-4,7H,6H2,1H3/b3-2+,7-4+,8-5+
InChIKeyDMFHZHNUEDDCNN-HSISCLFQSA-N
MW111.15 g/mol
LogP0.53
Rot. Bonds2

About N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide

N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide (PubChem CID 118973092) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide
PubChem CID118973092
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C/N
InChIInChI=1S/C5H9N3/c1-5(2-3-6)8-4-7/h2-4,7H,6H2,1H3/b3-2+,7-4+,8-5+
InChIKeyDMFHZHNUEDDCNN-HSISCLFQSA-N
XLogP0.53
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(1-Methyl-4-pyridinylidene)guanidine
CID 53978908
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
CID 59932316
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(Z)-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 88985932
3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
CID 89054135
2-Ethenyliminobut-3-en-1-amine
CID 89187037
(Z)-3-ethyliminobut-1-en-1-amine
CID 89360099
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide?
The IUPAC name of N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide (CID 118973092) is N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide?
The canonical SMILES for N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide is [H]/N=C/N=C(C)/C=C/N.
What is the InChIKey of N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide?
The InChIKey is DMFHZHNUEDDCNN-HSISCLFQSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(2-3-6)8-4-7/h2-4,7H,6H2,1H3/b3-2+,7-4+,8-5+.
What are the key properties of N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide?
N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 118973092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).