3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride

C8H20Cl2N2 — CID 173447358

IUPAC3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride
SMILESCN(C)CC=C[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C8H19N2.2ClH/c1-9(2)7-6-8-10(3,4)5;;/h6,8H,7H2,1-5H3;2*1H/q+1;;/p-1
InChIKeyOKHRVTADJDMVMZ-UHFFFAOYSA-M
MW215.17 g/mol
LogP-1.81
Rot. Bonds3

About 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride

3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride (PubChem CID 173447358) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride
PubChem CID173447358
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride
SMILESCN(C)CC=C[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C8H19N2.2ClH/c1-9(2)7-6-8-10(3,4)5;;/h6,8H,7H2,1-5H3;2*1H/q+1;;/p-1
InChIKeyOKHRVTADJDMVMZ-UHFFFAOYSA-M
XLogP-1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
CID 23271071
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
5-(dimethylamino)pent-3-enal
CID 174058957
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride?
The IUPAC name of 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride (CID 173447358) is 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride?
The canonical SMILES for 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride is CN(C)CC=C[N+](C)(C)C.Cl.[Cl-].
What is the InChIKey of 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride?
The InChIKey is OKHRVTADJDMVMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2.2ClH/c1-9(2)7-6-8-10(3,4)5;;/h6,8H,7H2,1-5H3;2*1H/q+1;;/p-1.
What are the key properties of 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride?
3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride has a molecular weight of 215.17 g/mol, XLogP of -1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride is sourced from PubChem (CID 173447358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).