[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium

C7H15N4+ — CID 163800896

IUPAC[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium
SMILESC=N/C=N/C(CN)=C(C)[NH2+]C
InChIInChI=1S/C7H14N4/c1-6(10-3)7(4-8)11-5-9-2/h5,10H,2,4,8H2,1,3H3/p+1/b7-6?,11-5+
InChIKeyNEVVGSXEEVFCCT-IWFCBVSZSA-O
MW155.22 g/mol
LogP-0.90
Rot. Bonds4

About [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium

[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium (PubChem CID 163800896) has the molecular formula C7H15N4+ and a molecular weight of 155.22 g/mol. Its IUPAC name is [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium.

Molecular Properties

Compound Name[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium
PubChem CID163800896
Molecular FormulaC7H15N4+
Molecular Weight155.22 g/mol
Exact Mass155.13
IUPAC Name[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium
SMILESC=N/C=N/C(CN)=C(C)[NH2+]C
InChIInChI=1S/C7H14N4/c1-6(10-3)7(4-8)11-5-9-2/h5,10H,2,4,8H2,1,3H3/p+1/b7-6?,11-5+
InChIKeyNEVVGSXEEVFCCT-IWFCBVSZSA-O
XLogP-0.90
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.90
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'}

Analyze [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,6-dimethyl-1,4-dihydropyrimidin-5-amine
CID 89418734
N-methyl-6-(methylideneamino)-1,4-dihydropyrimidin-5-amine
CID 123175950
6-Methyl-1,4-dihydropyrimidin-5-amine
CID 142030297
(Z)-3-amino-N,N'-dimethyl-2-(methylideneamino)but-2-enimidamide
CID 143940343
N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
CID 145132441
6-Methyl-1,4-dihydropyrimidine-4,5-diamine
CID 154521869
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 170101546
(Z)-2-amino-3-(ethylamino)-N'-methylbut-2-enimidamide
CID 144534927
N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide
CID 163800897

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium?
The IUPAC name of [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium (CID 163800896) is [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium.
What is the SMILES notation for [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium?
The canonical SMILES for [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium is C=N/C=N/C(CN)=C(C)[NH2+]C.
What is the InChIKey of [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium?
The InChIKey is NEVVGSXEEVFCCT-IWFCBVSZSA-O. The full InChI is InChI=1S/C7H14N4/c1-6(10-3)7(4-8)11-5-9-2/h5,10H,2,4,8H2,1,3H3/p+1/b7-6?,11-5+.
What are the key properties of [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium?
[4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium has a molecular weight of 155.22 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium is sourced from PubChem (CID 163800896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).