1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium

C6H9N2+ — CID 123472643

IUPAC1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium
SMILESC#[N+]C(C)=C/N=C/C
InChIInChI=1S/C6H9N2/c1-4-8-5-6(2)7-3/h3-5H,1-2H3/q+1/b6-5?,8-4+
InChIKeyYQRRISWXNQLACQ-KEFBPMMISA-N
MW109.15 g/mol
LogP1.90
Rot. Bonds1

About 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium

1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium (PubChem CID 123472643) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium.

Molecular Properties

Compound Name1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium
PubChem CID123472643
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium
SMILESC#[N+]C(C)=C/N=C/C
InChIInChI=1S/C6H9N2/c1-4-8-5-6(2)7-3/h3-5H,1-2H3/q+1/b6-5?,8-4+
InChIKeyYQRRISWXNQLACQ-KEFBPMMISA-N
XLogP1.90
TPSA16.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(Z)-N-ethenyl-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 147153115
N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide
CID 145312270
(2E,4Z,6E)-7-(ethylideneamino)-6-methylhepta-2,4,6-triene-3-thiol
CID 167055907
(Z,2E)-2-[(ethylideneamino)methylidene]-3-methylpent-3-enenitrile
CID 163758840
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine
CID 156544011
methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium
CID 176708065
ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
CID 177241613

Frequently Asked Questions

What is the IUPAC name of 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium?
The IUPAC name of 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium (CID 123472643) is 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium.
What is the SMILES notation for 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium?
The canonical SMILES for 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium is C#[N+]C(C)=C/N=C/C.
What is the InChIKey of 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium?
The InChIKey is YQRRISWXNQLACQ-KEFBPMMISA-N. The full InChI is InChI=1S/C6H9N2/c1-4-8-5-6(2)7-3/h3-5H,1-2H3/q+1/b6-5?,8-4+.
What are the key properties of 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium?
1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium has a molecular weight of 109.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium is sourced from PubChem (CID 123472643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).