ethylidene-methyl-(4-methylpent-3-enyl)azanium

C9H18N+ — CID 123222677

IUPACethylidene-methyl-(4-methylpent-3-enyl)azanium
SMILESC/C=[N+](\C)CCC=C(C)C
InChIInChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/q+1/b10-5+
InChIKeyASYVLTWPXCCEFA-BJMVGYQFSA-N
MW140.25 g/mol
LogP2.08
Rot. Bonds3

About ethylidene-methyl-(4-methylpent-3-enyl)azanium

ethylidene-methyl-(4-methylpent-3-enyl)azanium (PubChem CID 123222677) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is ethylidene-methyl-(4-methylpent-3-enyl)azanium.

Molecular Properties

Compound Nameethylidene-methyl-(4-methylpent-3-enyl)azanium
PubChem CID123222677
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Nameethylidene-methyl-(4-methylpent-3-enyl)azanium
SMILESC/C=[N+](\C)CCC=C(C)C
InChIInChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/q+1/b10-5+
InChIKeyASYVLTWPXCCEFA-BJMVGYQFSA-N
XLogP2.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,4Z)-2-ethyl-4-(fluoromethylimino)-N,N-dimethylbut-2-en-1-amine
CID 144126167
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine
CID 54544812
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012
1,5-Dimethyl-2,3-dihydropyridin-1-ium
CID 89785843
Hex-4-enylidene-methyl-propylazanium
CID 90967761
3-ethyl-N-methylpent-2-en-1-imine
CID 91211205
5,6-Dimethylhepta-2,5-dienylidene(dimethyl)azanium
CID 123155771
1,3,7-Trimethyl-1-azoniacycloundeca-4,8,11-triene
CID 123271073
Methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium
CID 123328332
Ethyl-ethylidene-(3-methylpent-3-enyl)azanium
CID 123358771
N-(2,3-dimethylpent-3-enyl)ethanimine
CID 123491658

Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-(4-methylpent-3-enyl)azanium?
The IUPAC name of ethylidene-methyl-(4-methylpent-3-enyl)azanium (CID 123222677) is ethylidene-methyl-(4-methylpent-3-enyl)azanium.
What is the SMILES notation for ethylidene-methyl-(4-methylpent-3-enyl)azanium?
The canonical SMILES for ethylidene-methyl-(4-methylpent-3-enyl)azanium is C/C=[N+](\C)CCC=C(C)C.
What is the InChIKey of ethylidene-methyl-(4-methylpent-3-enyl)azanium?
The InChIKey is ASYVLTWPXCCEFA-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H18N/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/q+1/b10-5+.
What are the key properties of ethylidene-methyl-(4-methylpent-3-enyl)azanium?
ethylidene-methyl-(4-methylpent-3-enyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-(4-methylpent-3-enyl)azanium is sourced from PubChem (CID 123222677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).