2-methyl-6-(methylamino)heptan-2-ol;hydrochloride

C9H22ClNO — CID 28254

IUPAC2-methyl-6-(methylamino)heptan-2-ol;hydrochloride
SMILESCNC(C)CCCC(C)(C)O.Cl
InChIInChI=1S/C9H21NO.ClH/c1-8(10-4)6-5-7-9(2,3)11;/h8,10-11H,5-7H2,1-4H3;1H
InChIKeyYALASGGBZLRLQA-UHFFFAOYSA-N
MW195.73 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride

2-methyl-6-(methylamino)heptan-2-ol;hydrochloride (PubChem CID 28254) has the molecular formula C9H22ClNO and a molecular weight of 195.73 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-6-(methylamino)heptan-2-ol;hydrochloride
PubChem CID28254
Molecular FormulaC9H22ClNO
Molecular Weight195.73 g/mol
Exact Mass195.14
IUPAC Name2-methyl-6-(methylamino)heptan-2-ol;hydrochloride
SMILESCNC(C)CCCC(C)(C)O.Cl
InChIInChI=1S/C9H21NO.ClH/c1-8(10-4)6-5-7-9(2,3)11;/h8,10-11H,5-7H2,1-4H3;1H
InChIKeyYALASGGBZLRLQA-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.73
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride?
The IUPAC name of 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride (CID 28254) is 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride.
What is the SMILES notation for 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride?
The canonical SMILES for 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride is CNC(C)CCCC(C)(C)O.Cl.
What is the InChIKey of 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride?
The InChIKey is YALASGGBZLRLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.ClH/c1-8(10-4)6-5-7-9(2,3)11;/h8,10-11H,5-7H2,1-4H3;1H.
What are the key properties of 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride?
2-methyl-6-(methylamino)heptan-2-ol;hydrochloride has a molecular weight of 195.73 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride is sourced from PubChem (CID 28254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).