methyl(6-methylhept-5-en-2-yl)azanium chloride

C9H20ClN — CID 53447279

IUPACmethyl(6-methylhept-5-en-2-yl)azanium chloride
SMILESC[NH2+]C(C)CCC=C(C)C.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H
InChIKeyAUERTJOCDMCUAL-UHFFFAOYSA-N
MW177.72 g/mol
LogP-1.68
Rot. Bonds4

About methyl(6-methylhept-5-en-2-yl)azanium chloride

methyl(6-methylhept-5-en-2-yl)azanium chloride (PubChem CID 53447279) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is methyl(6-methylhept-5-en-2-yl)azanium chloride.

Molecular Properties

Compound Namemethyl(6-methylhept-5-en-2-yl)azanium chloride
PubChem CID53447279
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Namemethyl(6-methylhept-5-en-2-yl)azanium chloride
SMILESC[NH2+]C(C)CCC=C(C)C.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H
InChIKeyAUERTJOCDMCUAL-UHFFFAOYSA-N
XLogP-1.68
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-1.68
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 methyl(6-methylhept-5-en-2-yl)azanium chloride?
The IUPAC name of methyl(6-methylhept-5-en-2-yl)azanium chloride (CID 53447279) is methyl(6-methylhept-5-en-2-yl)azanium chloride.
What is the SMILES notation for methyl(6-methylhept-5-en-2-yl)azanium chloride?
The canonical SMILES for methyl(6-methylhept-5-en-2-yl)azanium chloride is C[NH2+]C(C)CCC=C(C)C.[Cl-].
What is the InChIKey of methyl(6-methylhept-5-en-2-yl)azanium chloride?
The InChIKey is AUERTJOCDMCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H.
What are the key properties of methyl(6-methylhept-5-en-2-yl)azanium chloride?
methyl(6-methylhept-5-en-2-yl)azanium chloride has a molecular weight of 177.72 g/mol, XLogP of -1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(6-methylhept-5-en-2-yl)azanium chloride is sourced from PubChem (CID 53447279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).