trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium

C8H15N2+ — CID 123820836

IUPACtrimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium
SMILESC=NC=CC(=C)[N+](C)(C)C
InChIInChI=1S/C8H15N2/c1-8(6-7-9-2)10(3,4)5/h6-7H,1-2H2,3-5H3/q+1
InChIKeyMZIDRJJFVOXHPS-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.42
Rot. Bonds3

About trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium

trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium (PubChem CID 123820836) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium
PubChem CID123820836
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Nametrimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium
SMILESC=NC=CC(=C)[N+](C)(C)C
InChIInChI=1S/C8H15N2/c1-8(6-7-9-2)10(3,4)5/h6-7H,1-2H2,3-5H3/q+1
InChIKeyMZIDRJJFVOXHPS-UHFFFAOYSA-N
XLogP1.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium 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-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
CID 90154146
N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
CID 123683639
1-Methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
CID 20663925
(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
CID 22081150
1-Methyl-4-methylidenepyrimidine
CID 57672168
[(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium
CID 59733888
(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile
CID 59943125
1-Dimethylamino-1-aza-3-isopropyl-1,3-butadiene
CID 86743902
(1Z)-1-N,1-N,2-N,2-N-tetramethylbuta-1,3-diene-1,2-diamine
CID 87430174
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-2-amine
CID 91141901
6-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 117913361
N-ethenyl-N-methylbuta-1,3-dien-2-amine
CID 118612486

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium?
The IUPAC name of trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium (CID 123820836) is trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium.
What is the SMILES notation for trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium?
The canonical SMILES for trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium is C=NC=CC(=C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium?
The InChIKey is MZIDRJJFVOXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-8(6-7-9-2)10(3,4)5/h6-7H,1-2H2,3-5H3/q+1.
What are the key properties of trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium?
trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium has a molecular weight of 139.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium is sourced from PubChem (CID 123820836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).