1-amino-2,3,4-trimethylpentane-1,5-diol

C8H19NO2 — CID 142052298

IUPAC1-amino-2,3,4-trimethylpentane-1,5-diol
SMILESCC(CO)C(C)C(C)C(N)O
InChIInChI=1S/C8H19NO2/c1-5(4-10)6(2)7(3)8(9)11/h5-8,10-11H,4,9H2,1-3H3
InChIKeyUEWDNIYZUNCYBF-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.16
Rot. Bonds4

About 1-amino-2,3,4-trimethylpentane-1,5-diol

1-amino-2,3,4-trimethylpentane-1,5-diol (PubChem CID 142052298) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-amino-2,3,4-trimethylpentane-1,5-diol.

Molecular Properties

Compound Name1-amino-2,3,4-trimethylpentane-1,5-diol
PubChem CID142052298
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-amino-2,3,4-trimethylpentane-1,5-diol
SMILESCC(CO)C(C)C(C)C(N)O
InChIInChI=1S/C8H19NO2/c1-5(4-10)6(2)7(3)8(9)11/h5-8,10-11H,4,9H2,1-3H3
InChIKeyUEWDNIYZUNCYBF-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethylpentane-1,2,5-triol
CID 91805402
2,3-dimethylhexane-1,4-diol
CID 57128275
1-(1-amino-1-hydroxy-3-methylpentan-2-yl)oxy-2-methylpropane-1,3-diol
CID 90832132
7-hydroxy-3,4,5,6-tetramethylheptan-2-one
CID 122674518
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
2-aminopropan-1-ol;hydrofluoride
CID 22617394
3,5-dimethylhexane-1,2,4,6-tetrol
CID 14758507
1,4-diamino-2-methylpentane-1,3-diol
CID 57091383
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
(1R)-1-aminoethane-1,2-diol
CID 140649256

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3,4-trimethylpentane-1,5-diol?
The IUPAC name of 1-amino-2,3,4-trimethylpentane-1,5-diol (CID 142052298) is 1-amino-2,3,4-trimethylpentane-1,5-diol.
What is the SMILES notation for 1-amino-2,3,4-trimethylpentane-1,5-diol?
The canonical SMILES for 1-amino-2,3,4-trimethylpentane-1,5-diol is CC(CO)C(C)C(C)C(N)O.
What is the InChIKey of 1-amino-2,3,4-trimethylpentane-1,5-diol?
The InChIKey is UEWDNIYZUNCYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5(4-10)6(2)7(3)8(9)11/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 1-amino-2,3,4-trimethylpentane-1,5-diol?
1-amino-2,3,4-trimethylpentane-1,5-diol has a molecular weight of 161.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3,4-trimethylpentane-1,5-diol is sourced from PubChem (CID 142052298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).