1-amino-2,4-dimethylpentan-2-ol;hydrochloride

C7H18ClNO — CID 137460110

IUPAC1-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)CC(C)(O)CN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)4-7(3,9)5-8;/h6,9H,4-5,8H2,1-3H3;1H
InChIKeyJKWQQMMGSZGTCH-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds3

About 1-amino-2,4-dimethylpentan-2-ol;hydrochloride

1-amino-2,4-dimethylpentan-2-ol;hydrochloride (PubChem CID 137460110) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 1-amino-2,4-dimethylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2,4-dimethylpentan-2-ol;hydrochloride
PubChem CID137460110
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name1-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)CC(C)(O)CN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)4-7(3,9)5-8;/h6,9H,4-5,8H2,1-3H3;1H
InChIKeyJKWQQMMGSZGTCH-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2,4-dimethylpentan-2-ol;hydrochloride (CID 137460110) is 1-amino-2,4-dimethylpentan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2,4-dimethylpentan-2-ol;hydrochloride is CC(C)CC(C)(O)CN.Cl.
What is the InChIKey of 1-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The InChIKey is JKWQQMMGSZGTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-6(2)4-7(3,9)5-8;/h6,9H,4-5,8H2,1-3H3;1H.
What are the key properties of 1-amino-2,4-dimethylpentan-2-ol;hydrochloride?
1-amino-2,4-dimethylpentan-2-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,4-dimethylpentan-2-ol;hydrochloride is sourced from PubChem (CID 137460110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).