4-methylpent-3-en-2-ylazanium chloride

C6H14ClN — CID 87293548

IUPAC4-methylpent-3-en-2-ylazanium chloride
SMILESCC(C)=CC(C)[NH3+].[Cl-]
InChIInChI=1S/C6H13N.ClH/c1-5(2)4-6(3)7;/h4,6H,7H2,1-3H3;1H
InChIKeyIEZBKJFFSWFTCY-UHFFFAOYSA-N
MW135.64 g/mol
LogP-2.41
Rot. Bonds1

About 4-methylpent-3-en-2-ylazanium chloride

4-methylpent-3-en-2-ylazanium chloride (PubChem CID 87293548) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 4-methylpent-3-en-2-ylazanium chloride.

Molecular Properties

Compound Name4-methylpent-3-en-2-ylazanium chloride
PubChem CID87293548
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name4-methylpent-3-en-2-ylazanium chloride
SMILESCC(C)=CC(C)[NH3+].[Cl-]
InChIInChI=1S/C6H13N.ClH/c1-5(2)4-6(3)7;/h4,6H,7H2,1-3H3;1H
InChIKeyIEZBKJFFSWFTCY-UHFFFAOYSA-N
XLogP-2.41
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-en-2-ylazanium chloride?
The IUPAC name of 4-methylpent-3-en-2-ylazanium chloride (CID 87293548) is 4-methylpent-3-en-2-ylazanium chloride.
What is the SMILES notation for 4-methylpent-3-en-2-ylazanium chloride?
The canonical SMILES for 4-methylpent-3-en-2-ylazanium chloride is CC(C)=CC(C)[NH3+].[Cl-].
What is the InChIKey of 4-methylpent-3-en-2-ylazanium chloride?
The InChIKey is IEZBKJFFSWFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-5(2)4-6(3)7;/h4,6H,7H2,1-3H3;1H.
What are the key properties of 4-methylpent-3-en-2-ylazanium chloride?
4-methylpent-3-en-2-ylazanium chloride has a molecular weight of 135.64 g/mol, XLogP of -2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-2-ylazanium chloride is sourced from PubChem (CID 87293548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).