2-(4-amino-2-ethylpentyl)propane-1,3-diol

C10H23NO2 — CID 89289933

IUPAC2-(4-amino-2-ethylpentyl)propane-1,3-diol
SMILESCCC(CC(C)N)CC(CO)CO
InChIInChI=1S/C10H23NO2/c1-3-9(4-8(2)11)5-10(6-12)7-13/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyQGGLUIGMQORJRT-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.74
Rot. Bonds7

About 2-(4-amino-2-ethylpentyl)propane-1,3-diol

2-(4-amino-2-ethylpentyl)propane-1,3-diol (PubChem CID 89289933) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-amino-2-ethylpentyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-amino-2-ethylpentyl)propane-1,3-diol
PubChem CID89289933
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(4-amino-2-ethylpentyl)propane-1,3-diol
SMILESCCC(CC(C)N)CC(CO)CO
InChIInChI=1S/C10H23NO2/c1-3-9(4-8(2)11)5-10(6-12)7-13/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyQGGLUIGMQORJRT-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-ethylhexan-1-ol
CID 148917024
1-amino-3-ethylbutane-1,4-diol
CID 22444229
3,5,8-triethyldecane-1,10-diol
CID 87065848
2,4-diethylpentane-1,5-diol;hexane-1,6-diol
CID 139343033
4-aminopentane-1,2-diol
CID 12701364
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
2-aminopropan-1-ol;hydrofluoride
CID 22617394
2-(fluoromethyl)butan-1-ol
CID 59510838
(2S)-4-methylhexan-2-amine
CID 141201507
(2S)-2-amino-4-ethylheptan-1-ol
CID 145497284
(2S)-2-(bromomethyl)butan-1-ol
CID 142696213
2-ethylpropane-1,3-diol;propane-1,3-diol
CID 137407885

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-ethylpentyl)propane-1,3-diol?
The IUPAC name of 2-(4-amino-2-ethylpentyl)propane-1,3-diol (CID 89289933) is 2-(4-amino-2-ethylpentyl)propane-1,3-diol.
What is the SMILES notation for 2-(4-amino-2-ethylpentyl)propane-1,3-diol?
The canonical SMILES for 2-(4-amino-2-ethylpentyl)propane-1,3-diol is CCC(CC(C)N)CC(CO)CO.
What is the InChIKey of 2-(4-amino-2-ethylpentyl)propane-1,3-diol?
The InChIKey is QGGLUIGMQORJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-9(4-8(2)11)5-10(6-12)7-13/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 2-(4-amino-2-ethylpentyl)propane-1,3-diol?
2-(4-amino-2-ethylpentyl)propane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-ethylpentyl)propane-1,3-diol is sourced from PubChem (CID 89289933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).