2-amino-5,5-dimethylhexan-1-ol;hydrochloride

C8H20ClNO — CID 55254359

IUPAC2-amino-5,5-dimethylhexan-1-ol;hydrochloride
SMILESCC(C)(C)CCC(N)CO.Cl
InChIInChI=1S/C8H19NO.ClH/c1-8(2,3)5-4-7(9)6-10;/h7,10H,4-6,9H2,1-3H3;1H
InChIKeyPAUCETGCADVWRK-UHFFFAOYSA-N
MW181.71 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-5,5-dimethylhexan-1-ol;hydrochloride

2-amino-5,5-dimethylhexan-1-ol;hydrochloride (PubChem CID 55254359) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is 2-amino-5,5-dimethylhexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-5,5-dimethylhexan-1-ol;hydrochloride
PubChem CID55254359
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name2-amino-5,5-dimethylhexan-1-ol;hydrochloride
SMILESCC(C)(C)CCC(N)CO.Cl
InChIInChI=1S/C8H19NO.ClH/c1-8(2,3)5-4-7(9)6-10;/h7,10H,4-6,9H2,1-3H3;1H
InChIKeyPAUCETGCADVWRK-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethylhexan-1-ol;hydrochloride?
The IUPAC name of 2-amino-5,5-dimethylhexan-1-ol;hydrochloride (CID 55254359) is 2-amino-5,5-dimethylhexan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-5,5-dimethylhexan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-5,5-dimethylhexan-1-ol;hydrochloride is CC(C)(C)CCC(N)CO.Cl.
What is the InChIKey of 2-amino-5,5-dimethylhexan-1-ol;hydrochloride?
The InChIKey is PAUCETGCADVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-8(2,3)5-4-7(9)6-10;/h7,10H,4-6,9H2,1-3H3;1H.
What are the key properties of 2-amino-5,5-dimethylhexan-1-ol;hydrochloride?
2-amino-5,5-dimethylhexan-1-ol;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethylhexan-1-ol;hydrochloride is sourced from PubChem (CID 55254359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).