1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride

C8H20ClNO — CID 71757152

IUPAC1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride
SMILESCC(C)C(O)C(C)(C)CN.Cl
InChIInChI=1S/C8H19NO.ClH/c1-6(2)7(10)8(3,4)5-9;/h6-7,10H,5,9H2,1-4H3;1H
InChIKeyHDUWJZVMHSIQMD-UHFFFAOYSA-N
MW181.71 g/mol
LogP1.41
Rot. Bonds3

About 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride

1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride (PubChem CID 71757152) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride
PubChem CID71757152
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride
SMILESCC(C)C(O)C(C)(C)CN.Cl
InChIInChI=1S/C8H19NO.ClH/c1-6(2)7(10)8(3,4)5-9;/h6-7,10H,5,9H2,1-4H3;1H
InChIKeyHDUWJZVMHSIQMD-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-4-methylpentan-3-ol
CID 54594969
1-[1-(Aminomethyl)cyclopropyl]-2-methylpropan-1-ol
CID 71758169
5-Amino-4,4-dimethylpentan-2-ol
CID 54595113
3-Amino-2,2,4,4-tetramethylcyclobutan-1-ol hydrochloride
CID 138987813
1-Amino-2-methylpentan-3-ol
CID 19890523
(3R)-1-amino-4,4-dimethylpentan-3-ol
CID 55283766
(S)-1-amino-4,4-dimethyl-3-pentanol
CID 93618867
1-Amino-2,4-dimethylpentan-3-ol
CID 53802295
3-(Aminomethyl)-3-ethylpentan-2-ol
CID 54011150
1-Amino-4,4-dimethylpentan-3-ol
CID 55283756
(S)-1-Amino-4-methylpentan-3-ol
CID 71743699
1-Amino-2,2-dimethylpentan-3-ol
CID 79124770

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride?
The IUPAC name of 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride (CID 71757152) is 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride.
What is the SMILES notation for 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride?
The canonical SMILES for 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride is CC(C)C(O)C(C)(C)CN.Cl.
What is the InChIKey of 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride?
The InChIKey is HDUWJZVMHSIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-6(2)7(10)8(3,4)5-9;/h6-7,10H,5,9H2,1-4H3;1H.
What are the key properties of 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride?
1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,4-trimethylpentan-3-ol;hydrochloride is sourced from PubChem (CID 71757152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).