dimethyl-bis[(oct-7-enoylamino)methyl]azanium

C20H38N3O2+ — CID 102117908

IUPACdimethyl-bis[(oct-7-enoylamino)methyl]azanium
SMILESC=CCCCCCC(=O)NC[N+](C)(C)CNC(=O)CCCCCC=C
InChIInChI=1S/C20H37N3O2/c1-5-7-9-11-13-15-19(24)21-17-23(3,4)18-22-20(25)16-14-12-10-8-6-2/h5-6H,1-2,7-18H2,3-4H3,(H-,21,22,24,25)/p+1
InChIKeyTXUVTTDZFGULPG-UHFFFAOYSA-O
MW352.54 g/mol
LogP3.48
Rot. Bonds16

About dimethyl-bis[(oct-7-enoylamino)methyl]azanium

dimethyl-bis[(oct-7-enoylamino)methyl]azanium (PubChem CID 102117908) has the molecular formula C20H38N3O2+ and a molecular weight of 352.54 g/mol. Its IUPAC name is dimethyl-bis[(oct-7-enoylamino)methyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[(oct-7-enoylamino)methyl]azanium
PubChem CID102117908
Molecular FormulaC20H38N3O2+
Molecular Weight352.54 g/mol
Exact Mass352.30
IUPAC Namedimethyl-bis[(oct-7-enoylamino)methyl]azanium
SMILESC=CCCCCCC(=O)NC[N+](C)(C)CNC(=O)CCCCCC=C
InChIInChI=1S/C20H37N3O2/c1-5-7-9-11-13-15-19(24)21-17-23(3,4)18-22-20(25)16-14-12-10-8-6-2/h5-6H,1-2,7-18H2,3-4H3,(H-,21,22,24,25)/p+1
InChIKeyTXUVTTDZFGULPG-UHFFFAOYSA-O
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-bis[(oct-7-enoylamino)methyl]azanium 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

hexyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
CID 3344491
dimethyl-octyl-[2-(undec-10-enoylamino)ethyl]azanium bromide
CID 15007478
3-(dec-9-enoylamino)propyl-hydroxy-dimethylazanium;3-(dec-9-enoylamino)propyl-trimethylazanium
CID 160759465
N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
CID 156612713
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium
CID 20580502
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
tricosa-1,22-dien-12-one
CID 86210796
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
N-[2-(ethylidenecarbamothioylamino)ethyl]undec-10-enamide
CID 141055788

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[(oct-7-enoylamino)methyl]azanium?
The IUPAC name of dimethyl-bis[(oct-7-enoylamino)methyl]azanium (CID 102117908) is dimethyl-bis[(oct-7-enoylamino)methyl]azanium.
What is the SMILES notation for dimethyl-bis[(oct-7-enoylamino)methyl]azanium?
The canonical SMILES for dimethyl-bis[(oct-7-enoylamino)methyl]azanium is C=CCCCCCC(=O)NC[N+](C)(C)CNC(=O)CCCCCC=C.
What is the InChIKey of dimethyl-bis[(oct-7-enoylamino)methyl]azanium?
The InChIKey is TXUVTTDZFGULPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H37N3O2/c1-5-7-9-11-13-15-19(24)21-17-23(3,4)18-22-20(25)16-14-12-10-8-6-2/h5-6H,1-2,7-18H2,3-4H3,(H-,21,22,24,25)/p+1.
What are the key properties of dimethyl-bis[(oct-7-enoylamino)methyl]azanium?
dimethyl-bis[(oct-7-enoylamino)methyl]azanium has a molecular weight of 352.54 g/mol, XLogP of 3.48, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(oct-7-enoylamino)methyl]azanium is sourced from PubChem (CID 102117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).