(E)-N-but-3-enyl-N'-methylbut-2-enimidamide

C9H16N2 — CID 145174398

IUPAC(E)-N-but-3-enyl-N'-methylbut-2-enimidamide
SMILESC=CCCNC(/C=C/C)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-8-11-9(10-3)7-5-2/h4-5,7H,1,6,8H2,2-3H3,(H,10,11)/b7-5+
InChIKeyYGZXAWQCIQZDSH-FNORWQNLSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds4

About (E)-N-but-3-enyl-N'-methylbut-2-enimidamide

(E)-N-but-3-enyl-N'-methylbut-2-enimidamide (PubChem CID 145174398) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-N-but-3-enyl-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-but-3-enyl-N'-methylbut-2-enimidamide
PubChem CID145174398
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-N-but-3-enyl-N'-methylbut-2-enimidamide
SMILESC=CCCNC(/C=C/C)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-8-11-9(10-3)7-5-2/h4-5,7H,1,6,8H2,2-3H3,(H,10,11)/b7-5+
InChIKeyYGZXAWQCIQZDSH-FNORWQNLSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
N',2-dimethyl-N-prop-2-enylpropanimidamide
CID 12683077
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298

Frequently Asked Questions

What is the IUPAC name of (E)-N-but-3-enyl-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-N-but-3-enyl-N'-methylbut-2-enimidamide (CID 145174398) is (E)-N-but-3-enyl-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-N-but-3-enyl-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-N-but-3-enyl-N'-methylbut-2-enimidamide is C=CCCNC(/C=C/C)=N/C.
What is the InChIKey of (E)-N-but-3-enyl-N'-methylbut-2-enimidamide?
The InChIKey is YGZXAWQCIQZDSH-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-8-11-9(10-3)7-5-2/h4-5,7H,1,6,8H2,2-3H3,(H,10,11)/b7-5+.
What are the key properties of (E)-N-but-3-enyl-N'-methylbut-2-enimidamide?
(E)-N-but-3-enyl-N'-methylbut-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-but-3-enyl-N'-methylbut-2-enimidamide is sourced from PubChem (CID 145174398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).