2-diazenylprop-1-enyl-methyl-methylideneazanium

C5H10N3+ — CID 123561133

IUPAC2-diazenylprop-1-enyl-methyl-methylideneazanium
SMILES[H]/N=N/C(C)=C[N+](=C)C
InChIInChI=1S/C5H10N3/c1-5(7-6)4-8(2)3/h4,6H,2H2,1,3H3/q+1/b5-4?,7-6+
InChIKeyCVPZCWOSFSPTOE-VFABXPAXSA-N
MW112.16 g/mol
LogP1.22
Rot. Bonds2

About 2-diazenylprop-1-enyl-methyl-methylideneazanium

2-diazenylprop-1-enyl-methyl-methylideneazanium (PubChem CID 123561133) has the molecular formula C5H10N3+ and a molecular weight of 112.16 g/mol. Its IUPAC name is 2-diazenylprop-1-enyl-methyl-methylideneazanium.

Molecular Properties

Compound Name2-diazenylprop-1-enyl-methyl-methylideneazanium
PubChem CID123561133
Molecular FormulaC5H10N3+
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name2-diazenylprop-1-enyl-methyl-methylideneazanium
SMILES[H]/N=N/C(C)=C[N+](=C)C
InChIInChI=1S/C5H10N3/c1-5(7-6)4-8(2)3/h4,6H,2H2,1,3H3/q+1/b5-4?,7-6+
InChIKeyCVPZCWOSFSPTOE-VFABXPAXSA-N
XLogP1.22
TPSA39.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-diazenyl-N-(2-fluoroethyl)-N-methylprop-1-en-1-amine
CID 143952189
2-diazenyl-N,N-dimethylprop-1-en-1-amine
CID 57010386
N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide
CID 89299639
N-[(Z)-1-diazenylprop-1-en-2-yl]methanimidoyl iodide
CID 89502289
N-[(Z)-1-(methyldiazenyl)prop-1-en-2-yl]methanimine
CID 89774416
N-[(Z)-1-diazenylprop-1-en-2-yl]ethanimine
CID 89774887
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
N,N-dimethyl-2-(methylideneamino)prop-1-en-1-amine
CID 123773029
(Z)-2-diazenyl-N,N-dimethylprop-1-en-1-amine
CID 130335237
(Z)-N,N-dimethyl-1-(methylideneamino)prop-1-en-2-amine
CID 134182090
(Z)-N-ethyl-N-methyl-2-(methylideneamino)prop-1-en-1-amine
CID 134334224
(Z)-N,N-dimethyl-2-(methylideneamino)prop-1-en-1-amine
CID 143162759

Frequently Asked Questions

What is the IUPAC name of 2-diazenylprop-1-enyl-methyl-methylideneazanium?
The IUPAC name of 2-diazenylprop-1-enyl-methyl-methylideneazanium (CID 123561133) is 2-diazenylprop-1-enyl-methyl-methylideneazanium.
What is the SMILES notation for 2-diazenylprop-1-enyl-methyl-methylideneazanium?
The canonical SMILES for 2-diazenylprop-1-enyl-methyl-methylideneazanium is [H]/N=N/C(C)=C[N+](=C)C.
What is the InChIKey of 2-diazenylprop-1-enyl-methyl-methylideneazanium?
The InChIKey is CVPZCWOSFSPTOE-VFABXPAXSA-N. The full InChI is InChI=1S/C5H10N3/c1-5(7-6)4-8(2)3/h4,6H,2H2,1,3H3/q+1/b5-4?,7-6+.
What are the key properties of 2-diazenylprop-1-enyl-methyl-methylideneazanium?
2-diazenylprop-1-enyl-methyl-methylideneazanium has a molecular weight of 112.16 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylprop-1-enyl-methyl-methylideneazanium is sourced from PubChem (CID 123561133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).