but-1-enyl-methyl-(methylaminomethylidene)azanium

C7H15N2+ — CID 90686235

IUPACbut-1-enyl-methyl-(methylaminomethylidene)azanium
SMILESCCC=C/[N+](C)=C/NC
InChIInChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h5-7H,4H2,1-3H3/p+1
InChIKeyGPHLIASMRXLAJM-UHFFFAOYSA-O
MW127.21 g/mol
LogP0.80
Rot. Bonds3

About but-1-enyl-methyl-(methylaminomethylidene)azanium

but-1-enyl-methyl-(methylaminomethylidene)azanium (PubChem CID 90686235) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is but-1-enyl-methyl-(methylaminomethylidene)azanium.

Molecular Properties

Compound Namebut-1-enyl-methyl-(methylaminomethylidene)azanium
PubChem CID90686235
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Namebut-1-enyl-methyl-(methylaminomethylidene)azanium
SMILESCCC=C/[N+](C)=C/NC
InChIInChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h5-7H,4H2,1-3H3/p+1
InChIKeyGPHLIASMRXLAJM-UHFFFAOYSA-O
XLogP0.80
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-Methyl(4-amino)pyrimidine
CID 129876017
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
CID 24976956
2-[(E)-but-1-enyl]guanidine
CID 19100513
2-But-1-enylguanidine
CID 53992378
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
4-Methyl-1,4-dihydropyrimidine
CID 55286629
N,N-dimethyl-N'-prop-1-enylmethanimidamide
CID 74378000
1-prop-1-enyl-1H-imidazol-1-ium chloride
CID 86617951
N,N'-dimethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 88942972
N-[(E)-but-1-enyl]-N'-methylmethanimidamide
CID 89294540
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
N'-(3-aminopropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 89672431

Frequently Asked Questions

What is the IUPAC name of but-1-enyl-methyl-(methylaminomethylidene)azanium?
The IUPAC name of but-1-enyl-methyl-(methylaminomethylidene)azanium (CID 90686235) is but-1-enyl-methyl-(methylaminomethylidene)azanium.
What is the SMILES notation for but-1-enyl-methyl-(methylaminomethylidene)azanium?
The canonical SMILES for but-1-enyl-methyl-(methylaminomethylidene)azanium is CCC=C/[N+](C)=C/NC.
What is the InChIKey of but-1-enyl-methyl-(methylaminomethylidene)azanium?
The InChIKey is GPHLIASMRXLAJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h5-7H,4H2,1-3H3/p+1.
What are the key properties of but-1-enyl-methyl-(methylaminomethylidene)azanium?
but-1-enyl-methyl-(methylaminomethylidene)azanium has a molecular weight of 127.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-methyl-(methylaminomethylidene)azanium is sourced from PubChem (CID 90686235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).