trimethyl-(6-methyl-5-propylnon-1-enyl)azanium

C16H34N+ — CID 123748967

IUPACtrimethyl-(6-methyl-5-propylnon-1-enyl)azanium
SMILESCCCC(C)C(CCC)CCC=C[N+](C)(C)C
InChIInChI=1S/C16H34N/c1-7-11-15(3)16(12-8-2)13-9-10-14-17(4,5)6/h10,14-16H,7-9,11-13H2,1-6H3/q+1
InChIKeyNNSUVFKSPACUSA-UHFFFAOYSA-N
MW240.45 g/mol
LogP4.84
Rot. Bonds9

About trimethyl-(6-methyl-5-propylnon-1-enyl)azanium

trimethyl-(6-methyl-5-propylnon-1-enyl)azanium (PubChem CID 123748967) has the molecular formula C16H34N+ and a molecular weight of 240.45 g/mol. Its IUPAC name is trimethyl-(6-methyl-5-propylnon-1-enyl)azanium.

Molecular Properties

Compound Nametrimethyl-(6-methyl-5-propylnon-1-enyl)azanium
PubChem CID123748967
Molecular FormulaC16H34N+
Molecular Weight240.45 g/mol
Exact Mass240.27
IUPAC Nametrimethyl-(6-methyl-5-propylnon-1-enyl)azanium
SMILESCCCC(C)C(CCC)CCC=C[N+](C)(C)C
InChIInChI=1S/C16H34N/c1-7-11-15(3)16(12-8-2)13-9-10-14-17(4,5)6/h10,14-16H,7-9,11-13H2,1-6H3/q+1
InChIKeyNNSUVFKSPACUSA-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyloctadec-1-en-1-amine
CID 53401310
N,N-dimethylnonadec-1-en-1-amine
CID 74010646
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
Ethyl-methyl-isooctenyl amine
CID 54102089
Dii-amylnonenylamine
CID 129775763
(Z)-9-cyclopropyl-N,N-diethylnon-1-en-1-amine
CID 134894095
N,N-bis(2-methylpropyl)tridec-1-en-1-amine
CID 170848211
(E)-N,N-dimethyloctadec-1-en-1-amine
CID 14389673
(E)-N,N-dimethylhexadec-1-en-1-amine
CID 17921298
(E)-N,N-dimethyltetradec-1-en-1-amine
CID 17921304
trimethyl-[(E)-tetradec-1-enyl]azanium
CID 17921309
ethyl-dimethyl-[(E)-octadec-1-enyl]azanium
CID 18955186

Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-methyl-5-propylnon-1-enyl)azanium?
The IUPAC name of trimethyl-(6-methyl-5-propylnon-1-enyl)azanium (CID 123748967) is trimethyl-(6-methyl-5-propylnon-1-enyl)azanium.
What is the SMILES notation for trimethyl-(6-methyl-5-propylnon-1-enyl)azanium?
The canonical SMILES for trimethyl-(6-methyl-5-propylnon-1-enyl)azanium is CCCC(C)C(CCC)CCC=C[N+](C)(C)C.
What is the InChIKey of trimethyl-(6-methyl-5-propylnon-1-enyl)azanium?
The InChIKey is NNSUVFKSPACUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N/c1-7-11-15(3)16(12-8-2)13-9-10-14-17(4,5)6/h10,14-16H,7-9,11-13H2,1-6H3/q+1.
What are the key properties of trimethyl-(6-methyl-5-propylnon-1-enyl)azanium?
trimethyl-(6-methyl-5-propylnon-1-enyl)azanium has a molecular weight of 240.45 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-methyl-5-propylnon-1-enyl)azanium is sourced from PubChem (CID 123748967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).