2-ethylheptylidene-hex-1-en-2-yl-methylazanium

C16H32N+ — CID 123416280

IUPAC2-ethylheptylidene-hex-1-en-2-yl-methylazanium
SMILESC=C(CCCC)/[N+](C)=C/C(CC)CCCCC
InChIInChI=1S/C16H32N/c1-6-9-11-13-16(8-3)14-17(5)15(4)12-10-7-2/h14,16H,4,6-13H2,1-3,5H3/q+1/b17-14+
InChIKeyQPPFYWACCPYHQK-SAPNQHFASA-N
MW238.44 g/mol
LogP5.01
Rot. Bonds10

About 2-ethylheptylidene-hex-1-en-2-yl-methylazanium

2-ethylheptylidene-hex-1-en-2-yl-methylazanium (PubChem CID 123416280) has the molecular formula C16H32N+ and a molecular weight of 238.44 g/mol. Its IUPAC name is 2-ethylheptylidene-hex-1-en-2-yl-methylazanium.

Molecular Properties

Compound Name2-ethylheptylidene-hex-1-en-2-yl-methylazanium
PubChem CID123416280
Molecular FormulaC16H32N+
Molecular Weight238.44 g/mol
Exact Mass238.25
IUPAC Name2-ethylheptylidene-hex-1-en-2-yl-methylazanium
SMILESC=C(CCCC)/[N+](C)=C/C(CC)CCCCC
InChIInChI=1S/C16H32N/c1-6-9-11-13-16(8-3)14-17(5)15(4)12-10-7-2/h14,16H,4,6-13H2,1-3,5H3/q+1/b17-14+
InChIKeyQPPFYWACCPYHQK-SAPNQHFASA-N
XLogP5.01
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.01
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'}

Analyze 2-ethylheptylidene-hex-1-en-2-yl-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Heptadec-1-en-2-yl-(2-imino-4-methylhexan-3-yl)-methylideneazanium
CID 91022480
N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine
CID 91366331
6-(5-ethylheptyl)-1-(3-methylbutyl)-2H-pyrazine
CID 123149816
1-(6-methylheptyl)-6-(5-methylhexyl)-2H-pyrazine
CID 123211899
N,8-diethyl-2-(methylideneamino)-N-(4-methylpentyl)dec-1-en-1-amine
CID 123304887
1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
CID 123474836
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
CID 123731062
2-Heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine
CID 123783798
Methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
CID 123932437
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
CID 123998901
(2S)-3-methyl-N-oct-1-en-2-yl-2-propan-2-ylpenta-3,4-dien-1-imine
CID 126592698
N-[(Z)-2-(ethylideneamino)-3-hexyldec-1-enyl]ethanimine
CID 134419948

Frequently Asked Questions

What is the IUPAC name of 2-ethylheptylidene-hex-1-en-2-yl-methylazanium?
The IUPAC name of 2-ethylheptylidene-hex-1-en-2-yl-methylazanium (CID 123416280) is 2-ethylheptylidene-hex-1-en-2-yl-methylazanium.
What is the SMILES notation for 2-ethylheptylidene-hex-1-en-2-yl-methylazanium?
The canonical SMILES for 2-ethylheptylidene-hex-1-en-2-yl-methylazanium is C=C(CCCC)/[N+](C)=C/C(CC)CCCCC.
What is the InChIKey of 2-ethylheptylidene-hex-1-en-2-yl-methylazanium?
The InChIKey is QPPFYWACCPYHQK-SAPNQHFASA-N. The full InChI is InChI=1S/C16H32N/c1-6-9-11-13-16(8-3)14-17(5)15(4)12-10-7-2/h14,16H,4,6-13H2,1-3,5H3/q+1/b17-14+.
What are the key properties of 2-ethylheptylidene-hex-1-en-2-yl-methylazanium?
2-ethylheptylidene-hex-1-en-2-yl-methylazanium has a molecular weight of 238.44 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylheptylidene-hex-1-en-2-yl-methylazanium is sourced from PubChem (CID 123416280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).