dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium

C22H44N+ — CID 123598648

IUPACdimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium
SMILESC=C(C=CC)C[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H44N/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23(4,5)21-22(3)19-7-2/h7,19H,3,6,8-18,20-21H2,1-2,4-5H3/q+1
InChIKeyVAVKMASIPOEYON-UHFFFAOYSA-N
MW322.60 g/mol
LogP6.90
Rot. Bonds16

About dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium

dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium (PubChem CID 123598648) has the molecular formula C22H44N+ and a molecular weight of 322.60 g/mol. Its IUPAC name is dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium.

Molecular Properties

Compound Namedimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium
PubChem CID123598648
Molecular FormulaC22H44N+
Molecular Weight322.60 g/mol
Exact Mass322.35
IUPAC Namedimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium
SMILESC=C(C=CC)C[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H44N/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23(4,5)21-22(3)19-7-2/h7,19H,3,6,8-18,20-21H2,1-2,4-5H3/q+1
InChIKeyVAVKMASIPOEYON-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.60
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylideneundec-2-ene
CID 13425645
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium?
The IUPAC name of dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium (CID 123598648) is dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium.
What is the SMILES notation for dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium?
The canonical SMILES for dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium is C=C(C=CC)C[N+](C)(C)CCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium?
The InChIKey is VAVKMASIPOEYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23(4,5)21-22(3)19-7-2/h7,19H,3,6,8-18,20-21H2,1-2,4-5H3/q+1.
What are the key properties of dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium?
dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium has a molecular weight of 322.60 g/mol, XLogP of 6.90, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylidenepent-3-enyl)-tetradecylazanium is sourced from PubChem (CID 123598648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).