6-methylheptan-2-ylazanium chloride

C8H20ClN — CID 22299

IUPAC6-methylheptan-2-ylazanium chloride
SMILESCC(C)CCCC(C)[NH3+].[Cl-]
InChIInChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyJWQWFYMPBWLERY-UHFFFAOYSA-N
MW165.71 g/mol
LogP-1.55
Rot. Bonds4

About 6-methylheptan-2-ylazanium chloride

6-methylheptan-2-ylazanium chloride (PubChem CID 22299) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is 6-methylheptan-2-ylazanium chloride.

Molecular Properties

Compound Name6-methylheptan-2-ylazanium chloride
PubChem CID22299
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Name6-methylheptan-2-ylazanium chloride
SMILESCC(C)CCCC(C)[NH3+].[Cl-]
InChIInChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyJWQWFYMPBWLERY-UHFFFAOYSA-N
XLogP-1.55
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptan-2-ylazanium chloride?
The IUPAC name of 6-methylheptan-2-ylazanium chloride (CID 22299) is 6-methylheptan-2-ylazanium chloride.
What is the SMILES notation for 6-methylheptan-2-ylazanium chloride?
The canonical SMILES for 6-methylheptan-2-ylazanium chloride is CC(C)CCCC(C)[NH3+].[Cl-].
What is the InChIKey of 6-methylheptan-2-ylazanium chloride?
The InChIKey is JWQWFYMPBWLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H.
What are the key properties of 6-methylheptan-2-ylazanium chloride?
6-methylheptan-2-ylazanium chloride has a molecular weight of 165.71 g/mol, XLogP of -1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptan-2-ylazanium chloride is sourced from PubChem (CID 22299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).