(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide

C9H13N3 — CID 143824134

IUPAC(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide
SMILESC=N/C=C\C(=C/C)\C(N=C)=N\C
InChIInChI=1S/C9H13N3/c1-5-8(6-7-10-2)9(11-3)12-4/h5-7H,2-3H2,1,4H3/b7-6-,8-5+,12-9-
InChIKeyBTEZORQWQVGVOQ-AKKZRTOESA-N
MW163.22 g/mol
LogP1.88
Rot. Bonds3

About (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide

(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide (PubChem CID 143824134) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide
PubChem CID143824134
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide
SMILESC=N/C=C\C(=C/C)\C(N=C)=N\C
InChIInChI=1S/C9H13N3/c1-5-8(6-7-10-2)9(11-3)12-4/h5-7H,2-3H2,1,4H3/b7-6-,8-5+,12-9-
InChIKeyBTEZORQWQVGVOQ-AKKZRTOESA-N
XLogP1.88
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
2-fluoro-2-methyl-N'-[(1E)-3-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide
CID 166922223
N,1,4-trimethylpyridin-2-imine
CID 23387651
N-(4-methyl-3H-pyridin-3-id-2-yl)propan-1-imine;tungsten(2+)
CID 59659044
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
CID 90722831
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
N'-methyl-N-methylidenecyclooctatetraenecarboximidamide
CID 123510649
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 126593325
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
CID 130252124

Frequently Asked Questions

What is the IUPAC name of (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide?
The IUPAC name of (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide (CID 143824134) is (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide.
What is the SMILES notation for (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide?
The canonical SMILES for (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide is C=N/C=C\C(=C/C)\C(N=C)=N\C.
What is the InChIKey of (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide?
The InChIKey is BTEZORQWQVGVOQ-AKKZRTOESA-N. The full InChI is InChI=1S/C9H13N3/c1-5-8(6-7-10-2)9(11-3)12-4/h5-7H,2-3H2,1,4H3/b7-6-,8-5+,12-9-.
What are the key properties of (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide?
(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide is sourced from PubChem (CID 143824134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).