6-methylheptan-2-yl(propan-2-yl)azanium chloride

C11H26ClN — CID 19916

IUPAC6-methylheptan-2-yl(propan-2-yl)azanium chloride
SMILESCC(C)CCCC(C)[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H
InChIKeyQYEORIIWGAAORG-UHFFFAOYSA-N
MW207.79 g/mol
LogP-0.82
Rot. Bonds6

About 6-methylheptan-2-yl(propan-2-yl)azanium chloride

6-methylheptan-2-yl(propan-2-yl)azanium chloride (PubChem CID 19916) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is 6-methylheptan-2-yl(propan-2-yl)azanium chloride.

Molecular Properties

Compound Name6-methylheptan-2-yl(propan-2-yl)azanium chloride
PubChem CID19916
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC Name6-methylheptan-2-yl(propan-2-yl)azanium chloride
SMILESCC(C)CCCC(C)[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H
InChIKeyQYEORIIWGAAORG-UHFFFAOYSA-N
XLogP-0.82
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(4-methylpentyl)propane-1,3-diol
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tris(2,7-dimethyloctane);ethane;methane
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4-methylpentylaluminum(2+) dichloride
CID 20516771
6-methylheptan-2-ylsilane
CID 174300964
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
5-methylhexane-1-thiol
CID 18699074
2,5,9,13-tetramethyltetradecane
CID 58292409
2,3,7-trimethyloct-1-ene
CID 123245102
bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate
CID 171084572
10-methylundecane-1-thiol
CID 18538216

Frequently Asked Questions

What is the IUPAC name of 6-methylheptan-2-yl(propan-2-yl)azanium chloride?
The IUPAC name of 6-methylheptan-2-yl(propan-2-yl)azanium chloride (CID 19916) is 6-methylheptan-2-yl(propan-2-yl)azanium chloride.
What is the SMILES notation for 6-methylheptan-2-yl(propan-2-yl)azanium chloride?
The canonical SMILES for 6-methylheptan-2-yl(propan-2-yl)azanium chloride is CC(C)CCCC(C)[NH2+]C(C)C.[Cl-].
What is the InChIKey of 6-methylheptan-2-yl(propan-2-yl)azanium chloride?
The InChIKey is QYEORIIWGAAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.ClH/c1-9(2)7-6-8-11(5)12-10(3)4;/h9-12H,6-8H2,1-5H3;1H.
What are the key properties of 6-methylheptan-2-yl(propan-2-yl)azanium chloride?
6-methylheptan-2-yl(propan-2-yl)azanium chloride has a molecular weight of 207.79 g/mol, XLogP of -0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptan-2-yl(propan-2-yl)azanium chloride is sourced from PubChem (CID 19916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).