dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride

C10H20ClN — CID 139964456

IUPACdimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C)C=CC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-6-8-10(3)11(4,5)9-7-2;/h6-8,10H,2,9H2,1,3-5H3;1H/q+1;/p-1
InChIKeyWGVHPVGUKCCHSO-UHFFFAOYSA-M
MW189.73 g/mol
LogP-0.78
Rot. Bonds4

About dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride

dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride (PubChem CID 139964456) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
PubChem CID139964456
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Namedimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C)C=CC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-6-8-10(3)11(4,5)9-7-2;/h6-8,10H,2,9H2,1,3-5H3;1H/q+1;/p-1
InChIKeyWGVHPVGUKCCHSO-UHFFFAOYSA-M
XLogP-0.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
CID 54537776
dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
CID 174904695
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
1-hydroxybutan-2-yl-dimethyl-prop-2-enylazanium;chloride;hydrate
CID 175241639
(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride
CID 88658219
(1-chloro-3-hydroxybutyl)-methyl-bis(prop-2-enyl)azanium chloride
CID 174720214
(5Z)-4-propan-2-ylhepta-1,5-diene
CID 59039580
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654

Frequently Asked Questions

What is the IUPAC name of dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride (CID 139964456) is dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride is C=CC[N+](C)(C)C(C)C=CC.[Cl-].
What is the InChIKey of dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride?
The InChIKey is WGVHPVGUKCCHSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N.ClH/c1-6-8-10(3)11(4,5)9-7-2;/h6-8,10H,2,9H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride?
dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride has a molecular weight of 189.73 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride is sourced from PubChem (CID 139964456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).