methyl-[3-(8-methylnonoxy)propyl]azanium chloride

C14H32ClNO — CID 21256428

IUPACmethyl-[3-(8-methylnonoxy)propyl]azanium chloride
SMILESC[NH2+]CCCOCCCCCCCC(C)C.[Cl-]
InChIInChI=1S/C14H31NO.ClH/c1-14(2)10-7-5-4-6-8-12-16-13-9-11-15-3;/h14-15H,4-13H2,1-3H3;1H
InChIKeyBTVZDMIEKJLTEY-UHFFFAOYSA-N
MW265.87 g/mol
LogP-0.41
Rot. Bonds12

About methyl-[3-(8-methylnonoxy)propyl]azanium chloride

methyl-[3-(8-methylnonoxy)propyl]azanium chloride (PubChem CID 21256428) has the molecular formula C14H32ClNO and a molecular weight of 265.87 g/mol. Its IUPAC name is methyl-[3-(8-methylnonoxy)propyl]azanium chloride.

Molecular Properties

Compound Namemethyl-[3-(8-methylnonoxy)propyl]azanium chloride
PubChem CID21256428
Molecular FormulaC14H32ClNO
Molecular Weight265.87 g/mol
Exact Mass265.22
IUPAC Namemethyl-[3-(8-methylnonoxy)propyl]azanium chloride
SMILESC[NH2+]CCCOCCCCCCCC(C)C.[Cl-]
InChIInChI=1S/C14H31NO.ClH/c1-14(2)10-7-5-4-6-8-12-16-13-9-11-15-3;/h14-15H,4-13H2,1-3H3;1H
InChIKeyBTVZDMIEKJLTEY-UHFFFAOYSA-N
XLogP-0.41
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(8-methylnonoxy)propyl]azanium chloride?
The IUPAC name of methyl-[3-(8-methylnonoxy)propyl]azanium chloride (CID 21256428) is methyl-[3-(8-methylnonoxy)propyl]azanium chloride.
What is the SMILES notation for methyl-[3-(8-methylnonoxy)propyl]azanium chloride?
The canonical SMILES for methyl-[3-(8-methylnonoxy)propyl]azanium chloride is C[NH2+]CCCOCCCCCCCC(C)C.[Cl-].
What is the InChIKey of methyl-[3-(8-methylnonoxy)propyl]azanium chloride?
The InChIKey is BTVZDMIEKJLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.ClH/c1-14(2)10-7-5-4-6-8-12-16-13-9-11-15-3;/h14-15H,4-13H2,1-3H3;1H.
What are the key properties of methyl-[3-(8-methylnonoxy)propyl]azanium chloride?
methyl-[3-(8-methylnonoxy)propyl]azanium chloride has a molecular weight of 265.87 g/mol, XLogP of -0.41, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(8-methylnonoxy)propyl]azanium chloride is sourced from PubChem (CID 21256428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).