2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium

C15H31N2O2+ — CID 101277775

IUPAC2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
SMILESC=CCCCCCC(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C15H31N2O2/c1-5-6-7-8-9-10-15(19)16(2)11-12-17(3,4)13-14-18/h5,18H,1,6-14H2,2-4H3/q+1
InChIKeyKIXHVSXLTPSFMC-UHFFFAOYSA-N
MW271.42 g/mol
LogP1.65
Rot. Bonds11

About 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium

2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium (PubChem CID 101277775) has the molecular formula C15H31N2O2+ and a molecular weight of 271.42 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
PubChem CID101277775
Molecular FormulaC15H31N2O2+
Molecular Weight271.42 g/mol
Exact Mass271.24
IUPAC Name2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
SMILESC=CCCCCCC(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C15H31N2O2/c1-5-6-7-8-9-10-15(19)16(2)11-12-17(3,4)13-14-18/h5,18H,1,6-14H2,2-4H3/q+1
InChIKeyKIXHVSXLTPSFMC-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

diethyl-[2-[hept-6-enoyl(methyl)amino]ethyl]-(2-hydroxyethyl)azanium
CID 101277821
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696
2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277785
2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
CID 101277776
lithium 2-[methyl(oct-7-enoyl)amino]acetate
CID 102117359
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
2-[[(E)-hept-3-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277766
N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
[bis(2-hydroxyethyl)amino] undec-10-enoate
CID 175063036
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium
CID 155589580

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium (CID 101277775) is 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium is C=CCCCCCC(=O)N(C)CC[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium?
The InChIKey is KIXHVSXLTPSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2O2/c1-5-6-7-8-9-10-15(19)16(2)11-12-17(3,4)13-14-18/h5,18H,1,6-14H2,2-4H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium?
2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium has a molecular weight of 271.42 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium is sourced from PubChem (CID 101277775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).