hept-2-enylidene(dimethyl)azanium

C9H18N+ — CID 123455179

IUPAChept-2-enylidene(dimethyl)azanium
SMILESCCCCC=CC=[N+](C)C
InChIInChI=1S/C9H18N/c1-4-5-6-7-8-9-10(2)3/h7-9H,4-6H2,1-3H3/q+1
InChIKeyKFVWMGYGLDFILF-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.08
Rot. Bonds4

About hept-2-enylidene(dimethyl)azanium

hept-2-enylidene(dimethyl)azanium (PubChem CID 123455179) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is hept-2-enylidene(dimethyl)azanium.

Molecular Properties

Compound Namehept-2-enylidene(dimethyl)azanium
PubChem CID123455179
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namehept-2-enylidene(dimethyl)azanium
SMILESCCCCC=CC=[N+](C)C
InChIInChI=1S/C9H18N/c1-4-5-6-7-8-9-10(2)3/h7-9H,4-6H2,1-3H3/q+1
InChIKeyKFVWMGYGLDFILF-UHFFFAOYSA-N
XLogP2.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

trideca-2,4,6,8-tetraene
CID 54117998
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
1-chlorodec-5-ene
CID 3085570
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
dec-5-ene;trihydrobromide
CID 175802238
(22E)-heptatetraconta-22,24-diene
CID 56629131
dimethyl(pentylidene)azanium
CID 23064047

Frequently Asked Questions

What is the IUPAC name of hept-2-enylidene(dimethyl)azanium?
The IUPAC name of hept-2-enylidene(dimethyl)azanium (CID 123455179) is hept-2-enylidene(dimethyl)azanium.
What is the SMILES notation for hept-2-enylidene(dimethyl)azanium?
The canonical SMILES for hept-2-enylidene(dimethyl)azanium is CCCCC=CC=[N+](C)C.
What is the InChIKey of hept-2-enylidene(dimethyl)azanium?
The InChIKey is KFVWMGYGLDFILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-4-5-6-7-8-9-10(2)3/h7-9H,4-6H2,1-3H3/q+1.
What are the key properties of hept-2-enylidene(dimethyl)azanium?
hept-2-enylidene(dimethyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-enylidene(dimethyl)azanium is sourced from PubChem (CID 123455179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).