hex-4-enylidene-methyl-propylazanium

C10H20N+ — CID 90967761

IUPAChex-4-enylidene-methyl-propylazanium
SMILESCC=CCC/C=[N+](\C)CCC
InChIInChI=1S/C10H20N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,10H,5,7-9H2,1-3H3/q+1/b6-4?,11-10+
InChIKeyVTVOFERGCGATLK-IVUZWQIUSA-N
MW154.28 g/mol
LogP2.47
Rot. Bonds5

About hex-4-enylidene-methyl-propylazanium

hex-4-enylidene-methyl-propylazanium (PubChem CID 90967761) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is hex-4-enylidene-methyl-propylazanium.

Molecular Properties

Compound Namehex-4-enylidene-methyl-propylazanium
PubChem CID90967761
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Namehex-4-enylidene-methyl-propylazanium
SMILESCC=CCC/C=[N+](\C)CCC
InChIInChI=1S/C10H20N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,10H,5,7-9H2,1-3H3/q+1/b6-4?,11-10+
InChIKeyVTVOFERGCGATLK-IVUZWQIUSA-N
XLogP2.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
1-Methyl-2,3-dihydropyridin-1-ium
CID 17977157
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
1-Azacyclododeca-4,8,12-triene
CID 53824618
N-propylhex-2-en-1-imine
CID 57162826
(4E)-1-azacyclododeca-4,8,12-triene
CID 70482767
(Z)-N-propylhex-3-en-1-imine
CID 88915158
N-butylhept-5-en-1-imine
CID 91465252
5,6-Dimethylhepta-2,5-dienylidene(dimethyl)azanium
CID 123155771
N-pent-3-enylpropan-1-imine
CID 123177583
Ethylidene-methyl-(4-methylpent-3-enyl)azanium
CID 123222677
(2E)-N-methylnona-2,7-dien-1-imine
CID 123259957

Frequently Asked Questions

What is the IUPAC name of hex-4-enylidene-methyl-propylazanium?
The IUPAC name of hex-4-enylidene-methyl-propylazanium (CID 90967761) is hex-4-enylidene-methyl-propylazanium.
What is the SMILES notation for hex-4-enylidene-methyl-propylazanium?
The canonical SMILES for hex-4-enylidene-methyl-propylazanium is CC=CCC/C=[N+](\C)CCC.
What is the InChIKey of hex-4-enylidene-methyl-propylazanium?
The InChIKey is VTVOFERGCGATLK-IVUZWQIUSA-N. The full InChI is InChI=1S/C10H20N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,10H,5,7-9H2,1-3H3/q+1/b6-4?,11-10+.
What are the key properties of hex-4-enylidene-methyl-propylazanium?
hex-4-enylidene-methyl-propylazanium has a molecular weight of 154.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-enylidene-methyl-propylazanium is sourced from PubChem (CID 90967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).