6-amino-2-methylheptan-2-ol;hydrochloride

C8H20ClNO — CID 10969

IUPAC6-amino-2-methylheptan-2-ol;hydrochloride
SMILESCC(N)CCCC(C)(C)O.Cl
InChIInChI=1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H
InChIKeyJZNBMCOSOXIZJB-UHFFFAOYSA-N
MW181.71 g/mol
LogP1.70
Rot. Bonds4

About 6-amino-2-methylheptan-2-ol;hydrochloride

6-amino-2-methylheptan-2-ol;hydrochloride (PubChem CID 10969) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is 6-amino-2-methylheptan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-amino-2-methylheptan-2-ol;hydrochloride
PubChem CID10969
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name6-amino-2-methylheptan-2-ol;hydrochloride
SMILESCC(N)CCCC(C)(C)O.Cl
InChIInChI=1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H
InChIKeyJZNBMCOSOXIZJB-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylheptan-2-ol;hydrochloride?
The IUPAC name of 6-amino-2-methylheptan-2-ol;hydrochloride (CID 10969) is 6-amino-2-methylheptan-2-ol;hydrochloride.
What is the SMILES notation for 6-amino-2-methylheptan-2-ol;hydrochloride?
The canonical SMILES for 6-amino-2-methylheptan-2-ol;hydrochloride is CC(N)CCCC(C)(C)O.Cl.
What is the InChIKey of 6-amino-2-methylheptan-2-ol;hydrochloride?
The InChIKey is JZNBMCOSOXIZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H.
What are the key properties of 6-amino-2-methylheptan-2-ol;hydrochloride?
6-amino-2-methylheptan-2-ol;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylheptan-2-ol;hydrochloride is sourced from PubChem (CID 10969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).