2-(2-aminoethyl)pentane-1,2-diol

C7H17NO2 — CID 88986362

IUPAC2-(2-aminoethyl)pentane-1,2-diol
SMILESCCCC(O)(CO)CCN
InChIInChI=1S/C7H17NO2/c1-2-3-7(10,6-9)4-5-8/h9-10H,2-6,8H2,1H3
InChIKeyNQAZJNHDZMAHAZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds5

About 2-(2-aminoethyl)pentane-1,2-diol

2-(2-aminoethyl)pentane-1,2-diol (PubChem CID 88986362) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)pentane-1,2-diol.

Molecular Properties

Compound Name2-(2-aminoethyl)pentane-1,2-diol
PubChem CID88986362
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(2-aminoethyl)pentane-1,2-diol
SMILESCCCC(O)(CO)CCN
InChIInChI=1S/C7H17NO2/c1-2-3-7(10,6-9)4-5-8/h9-10H,2-6,8H2,1H3
InChIKeyNQAZJNHDZMAHAZ-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyloctane-1,2-diol
CID 88923937
1-amino-3-(aminomethyl)heptan-3-ol
CID 141174970
2-ethyltridecane-1,2-diol
CID 88923996
2-butyltetradecane-1,2-diol
CID 88924076
4-aminobutane-1,2,2-triol
CID 90003311
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
3-propyloctane-1,3-diol
CID 88923981
2-heptylhexane-1,2,6-triol
CID 22481106
(E,3R)-1-amino-3-ethylnon-6-en-3-ol
CID 170291638
2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol
CID 139980798
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
4-amino-2,2-dimethylbutan-1-ol
CID 55253832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)pentane-1,2-diol?
The IUPAC name of 2-(2-aminoethyl)pentane-1,2-diol (CID 88986362) is 2-(2-aminoethyl)pentane-1,2-diol.
What is the SMILES notation for 2-(2-aminoethyl)pentane-1,2-diol?
The canonical SMILES for 2-(2-aminoethyl)pentane-1,2-diol is CCCC(O)(CO)CCN.
What is the InChIKey of 2-(2-aminoethyl)pentane-1,2-diol?
The InChIKey is NQAZJNHDZMAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-3-7(10,6-9)4-5-8/h9-10H,2-6,8H2,1H3.
What are the key properties of 2-(2-aminoethyl)pentane-1,2-diol?
2-(2-aminoethyl)pentane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)pentane-1,2-diol is sourced from PubChem (CID 88986362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).