henicos-2-enyl-dimethyl-prop-2-enylazanium

C26H52N+ — CID 141448717

IUPAChenicos-2-enyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC=CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(3,4)25-6-2/h6,23-24H,2,5,7-22,25-26H2,1,3-4H3/q+1
InChIKeyWQUCNNNNMZSQTK-UHFFFAOYSA-N
MW378.71 g/mol
LogP8.46
Rot. Bonds21

About henicos-2-enyl-dimethyl-prop-2-enylazanium

henicos-2-enyl-dimethyl-prop-2-enylazanium (PubChem CID 141448717) has the molecular formula C26H52N+ and a molecular weight of 378.71 g/mol. Its IUPAC name is henicos-2-enyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Namehenicos-2-enyl-dimethyl-prop-2-enylazanium
PubChem CID141448717
Molecular FormulaC26H52N+
Molecular Weight378.71 g/mol
Exact Mass378.41
IUPAC Namehenicos-2-enyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC=CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H52N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(3,4)25-6-2/h6,23-24H,2,5,7-22,25-26H2,1,3-4H3/q+1
InChIKeyWQUCNNNNMZSQTK-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 58.46
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[(E)-oct-2-enyl]azanium
CID 102116304
[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
CID 153427948
triaconta-1,19-diene
CID 54007897
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of henicos-2-enyl-dimethyl-prop-2-enylazanium?
The IUPAC name of henicos-2-enyl-dimethyl-prop-2-enylazanium (CID 141448717) is henicos-2-enyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for henicos-2-enyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for henicos-2-enyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CC=CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of henicos-2-enyl-dimethyl-prop-2-enylazanium?
The InChIKey is WQUCNNNNMZSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(3,4)25-6-2/h6,23-24H,2,5,7-22,25-26H2,1,3-4H3/q+1.
What are the key properties of henicos-2-enyl-dimethyl-prop-2-enylazanium?
henicos-2-enyl-dimethyl-prop-2-enylazanium has a molecular weight of 378.71 g/mol, XLogP of 8.46, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-2-enyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 141448717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).