dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride

C10H20ClNO — CID 86760082

IUPACdimethyl-bis(prop-2-enyl)azanium;ethenol;chloride
SMILESC=CC[N+](C)(C)CC=C.C=CO.[Cl-]
InChIInChI=1S/C8H16N.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;2-3H,1H2;1H/q+1;;/p-1
InChIKeyIKYKUXAWPJQFFW-UHFFFAOYSA-M
MW205.73 g/mol
LogP-0.87
Rot. Bonds4

About dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride

dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride (PubChem CID 86760082) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;ethenol;chloride
PubChem CID86760082
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;ethenol;chloride
SMILESC=CC[N+](C)(C)CC=C.C=CO.[Cl-]
InChIInChI=1S/C8H16N.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;2-3H,1H2;1H/q+1;;/p-1
InChIKeyIKYKUXAWPJQFFW-UHFFFAOYSA-M
XLogP-0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(Diallylamino)ethanol
CID 253018
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
1-[1-Hydroxyethyl(prop-2-enyl)amino]ethanol
CID 18004267
Allyl tris-(2-hydroxyethyl)ammonium chloride
CID 87969591
Dibutyl(4-hydroxybut-2-YN-1-YL)(prop-2-EN-1-YL)azanium
CID 40453370
Dibutyl-(4-hydroxybut-2-ynyl)-prop-2-enylazanium bromide
CID 45127586
(Z)-4-(diethylamino)but-2-en-1-ol
CID 131849216
(E)-4-diethylamino-but-2-en-1-ol
CID 11126386
2-[Ethyl(prop-2-enyl)amino]ethanol
CID 12376442
2-Hydroxyethyl-methyl-bis(prop-2-enyl)azanium
CID 13778202
2-Propen-1-aminium, N-(2-hydroxyethyl)-N,N-dimethyl-, bromide
CID 13778208

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride (CID 86760082) is dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride is C=CC[N+](C)(C)CC=C.C=CO.[Cl-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride?
The InChIKey is IKYKUXAWPJQFFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;2-3H,1H2;1H/q+1;;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride?
dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride has a molecular weight of 205.73 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;ethenol;chloride is sourced from PubChem (CID 86760082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).