dimethyl-(2-methyltetradecyl)-prop-2-enylazanium

C20H42N+ — CID 174309034

IUPACdimethyl-(2-methyltetradecyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC(C)CCCCCCCCCCCC
InChIInChI=1S/C20H42N/c1-6-8-9-10-11-12-13-14-15-16-17-20(3)19-21(4,5)18-7-2/h7,20H,2,6,8-19H2,1,3-5H3/q+1
InChIKeyYTELZJMRYBOXQN-UHFFFAOYSA-N
MW296.56 g/mol
LogP6.20
Rot. Bonds15

About dimethyl-(2-methyltetradecyl)-prop-2-enylazanium

dimethyl-(2-methyltetradecyl)-prop-2-enylazanium (PubChem CID 174309034) has the molecular formula C20H42N+ and a molecular weight of 296.56 g/mol. Its IUPAC name is dimethyl-(2-methyltetradecyl)-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-(2-methyltetradecyl)-prop-2-enylazanium
PubChem CID174309034
Molecular FormulaC20H42N+
Molecular Weight296.56 g/mol
Exact Mass296.33
IUPAC Namedimethyl-(2-methyltetradecyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC(C)CCCCCCCCCCCC
InChIInChI=1S/C20H42N/c1-6-8-9-10-11-12-13-14-15-16-17-20(3)19-21(4,5)18-7-2/h7,20H,2,6,8-19H2,1,3-5H3/q+1
InChIKeyYTELZJMRYBOXQN-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(2-methyltetradecyl)azanium chloride
CID 18681297
dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284
hexyl-dimethyl-prop-2-enylazanium
CID 123825197
8-methylnonadec-1-ene
CID 90877384
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
10,16-dimethyldotriacontane
CID 91748795
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyltetradecyl)-prop-2-enylazanium?
The IUPAC name of dimethyl-(2-methyltetradecyl)-prop-2-enylazanium (CID 174309034) is dimethyl-(2-methyltetradecyl)-prop-2-enylazanium.
What is the SMILES notation for dimethyl-(2-methyltetradecyl)-prop-2-enylazanium?
The canonical SMILES for dimethyl-(2-methyltetradecyl)-prop-2-enylazanium is C=CC[N+](C)(C)CC(C)CCCCCCCCCCCC.
What is the InChIKey of dimethyl-(2-methyltetradecyl)-prop-2-enylazanium?
The InChIKey is YTELZJMRYBOXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N/c1-6-8-9-10-11-12-13-14-15-16-17-20(3)19-21(4,5)18-7-2/h7,20H,2,6,8-19H2,1,3-5H3/q+1.
What are the key properties of dimethyl-(2-methyltetradecyl)-prop-2-enylazanium?
dimethyl-(2-methyltetradecyl)-prop-2-enylazanium has a molecular weight of 296.56 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyltetradecyl)-prop-2-enylazanium is sourced from PubChem (CID 174309034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).