2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium

C16H33N2O2+ — CID 101277776

IUPAC2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
SMILESCCCCCC/C=C/C(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C16H33N2O2/c1-5-6-7-8-9-10-11-16(20)17(2)12-13-18(3,4)14-15-19/h10-11,19H,5-9,12-15H2,1-4H3/q+1/b11-10+
InChIKeyVQRANMCYQWFHPF-ZHACJKMWSA-N
MW285.45 g/mol
LogP2.04
Rot. Bonds11

About 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium

2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium (PubChem CID 101277776) has the molecular formula C16H33N2O2+ and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
PubChem CID101277776
Molecular FormulaC16H33N2O2+
Molecular Weight285.45 g/mol
Exact Mass285.25
IUPAC Name2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
SMILESCCCCCC/C=C/C(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C16H33N2O2/c1-5-6-7-8-9-10-11-16(20)17(2)12-13-18(3,4)14-15-19/h10-11,19H,5-9,12-15H2,1-4H3/q+1/b11-10+
InChIKeyVQRANMCYQWFHPF-ZHACJKMWSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
CID 101277835
2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277785
3-[hexadec-2-enoyl(methyl)amino]propanoic acid
CID 139936776
4-[[(E)-docos-2-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284664
sodium 3-[[(E)-heptadec-2-enoyl]-methylamino]propane-1-sulfonate
CID 101284318
calcium bis(3-[methyl-[(E)-tridec-2-enoyl]amino]propane-1-sulfonate)
CID 101283914
potassium 3-[[(E)-dodec-2-enoyl]-methylamino]propane-1-sulfonate
CID 101283909
sodium 4-[methyl-[(E)-tetradec-2-enoyl]amino]butane-1-sulfonate
CID 101284623
sodium 4-[methyl-[(E)-tetracos-2-enoyl]amino]butane-1-sulfonate
CID 101284684
potassium 4-[[(E)-henicos-2-enoyl]-methylamino]butane-1-sulfonate
CID 101284661
calcium bis(4-[[(E)-heptadec-2-enoyl]-methylamino]butane-1-sulfonate)
CID 101284638
N,N-dimethylpentadec-2-enamide
CID 123899063

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium (CID 101277776) is 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium is CCCCCC/C=C/C(=O)N(C)CC[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium?
The InChIKey is VQRANMCYQWFHPF-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H33N2O2/c1-5-6-7-8-9-10-11-16(20)17(2)12-13-18(3,4)14-15-19/h10-11,19H,5-9,12-15H2,1-4H3/q+1/b11-10+.
What are the key properties of 2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium?
2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium has a molecular weight of 285.45 g/mol, XLogP of 2.04, 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-[(E)-non-2-enoyl]amino]ethyl]azanium is sourced from PubChem (CID 101277776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).