N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide

C7H14N4 — CID 163800897

IUPACN'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CN)=C(C)NC
InChIInChI=1S/C7H14N4/c1-6(10-3)7(4-8)11-5-9-2/h5,10H,2,4,8H2,1,3H3/b7-6?,11-5+
InChIKeyNEVVGSXEEVFCCT-IWFCBVSZSA-N
MW154.22 g/mol
LogP0.12
Rot. Bonds4

About N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide

N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide (PubChem CID 163800897) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide
PubChem CID163800897
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CN)=C(C)NC
InChIInChI=1S/C7H14N4/c1-6(10-3)7(4-8)11-5-9-2/h5,10H,2,4,8H2,1,3H3/b7-6?,11-5+
InChIKeyNEVVGSXEEVFCCT-IWFCBVSZSA-N
XLogP0.12
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
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

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
[4-Amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium
CID 163800896
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 170101546
(Z)-2-amino-3-(ethylamino)-N'-methylbut-2-enimidamide
CID 144534927

Frequently Asked Questions

What is the IUPAC name of N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide (CID 163800897) is N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide is C=N/C=N/C(CN)=C(C)NC.
What is the InChIKey of N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide?
The InChIKey is NEVVGSXEEVFCCT-IWFCBVSZSA-N. 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/b7-6?,11-5+.
What are the key properties of N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide?
N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide has a molecular weight of 154.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-amino-3-(methylamino)but-2-en-2-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 163800897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).