6-amino-2-methylheptan-2-ol chloride

C8H19ClNO- — CID 46864216

IUPAC6-amino-2-methylheptan-2-ol chloride
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/p-1
InChIKeyJZNBMCOSOXIZJB-UHFFFAOYSA-M
MW180.70 g/mol
LogP-1.72
Rot. Bonds4

About 6-amino-2-methylheptan-2-ol chloride

6-amino-2-methylheptan-2-ol chloride (PubChem CID 46864216) has the molecular formula C8H19ClNO- and a molecular weight of 180.70 g/mol. Its IUPAC name is 6-amino-2-methylheptan-2-ol chloride.

Molecular Properties

Compound Name6-amino-2-methylheptan-2-ol chloride
PubChem CID46864216
Molecular FormulaC8H19ClNO-
Molecular Weight180.70 g/mol
Exact Mass180.12
IUPAC Name6-amino-2-methylheptan-2-ol chloride
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/p-1
InChIKeyJZNBMCOSOXIZJB-UHFFFAOYSA-M
XLogP-1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 5-1.72
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 chloride?
The IUPAC name of 6-amino-2-methylheptan-2-ol chloride (CID 46864216) is 6-amino-2-methylheptan-2-ol chloride.
What is the SMILES notation for 6-amino-2-methylheptan-2-ol chloride?
The canonical SMILES for 6-amino-2-methylheptan-2-ol chloride is CC(N)CCCC(C)(C)O.[Cl-].
What is the InChIKey of 6-amino-2-methylheptan-2-ol chloride?
The InChIKey is JZNBMCOSOXIZJB-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 6-amino-2-methylheptan-2-ol chloride?
6-amino-2-methylheptan-2-ol chloride has a molecular weight of 180.70 g/mol, XLogP of -1.72, 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 chloride is sourced from PubChem (CID 46864216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).