2-(2-hydroxyethylamino)pentane-1,5-diol

C7H17NO3 — CID 87894926

IUPAC2-(2-hydroxyethylamino)pentane-1,5-diol
SMILESOCCCC(CO)NCCO
InChIInChI=1S/C7H17NO3/c9-4-1-2-7(6-11)8-3-5-10/h7-11H,1-6H2
InChIKeyMHJXMWIJJMHSCS-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.30
Rot. Bonds7

About 2-(2-hydroxyethylamino)pentane-1,5-diol

2-(2-hydroxyethylamino)pentane-1,5-diol (PubChem CID 87894926) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)pentane-1,5-diol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)pentane-1,5-diol
PubChem CID87894926
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(2-hydroxyethylamino)pentane-1,5-diol
SMILESOCCCC(CO)NCCO
InChIInChI=1S/C7H17NO3/c9-4-1-2-7(6-11)8-3-5-10/h7-11H,1-6H2
InChIKeyMHJXMWIJJMHSCS-UHFFFAOYSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
2-(diethylamino)ethanol;2-(2-hydroxyethylamino)hexan-1-ol
CID 155123855
hexadecanoic acid;2-(2-hydroxyethylamino)icosan-1-ol
CID 90146184
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330
1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
CID 90097181
1-(1,5-dihydroxypentan-2-ylamino)ethanesulfonic acid
CID 88732882
3-[2-hydroxyethyl-[3-(2-hydroxyethylamino)henicosyl]amino]propan-1-ol
CID 20500009

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)pentane-1,5-diol?
The IUPAC name of 2-(2-hydroxyethylamino)pentane-1,5-diol (CID 87894926) is 2-(2-hydroxyethylamino)pentane-1,5-diol.
What is the SMILES notation for 2-(2-hydroxyethylamino)pentane-1,5-diol?
The canonical SMILES for 2-(2-hydroxyethylamino)pentane-1,5-diol is OCCCC(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)pentane-1,5-diol?
The InChIKey is MHJXMWIJJMHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c9-4-1-2-7(6-11)8-3-5-10/h7-11H,1-6H2.
What are the key properties of 2-(2-hydroxyethylamino)pentane-1,5-diol?
2-(2-hydroxyethylamino)pentane-1,5-diol has a molecular weight of 163.22 g/mol, XLogP of -1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)pentane-1,5-diol is sourced from PubChem (CID 87894926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).