1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol

C6H16N2O3 — CID 15323033

IUPAC1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
SMILESNCC(O)COCC(O)CN
InChIInChI=1S/C6H16N2O3/c7-1-5(9)3-11-4-6(10)2-8/h5-6,9-10H,1-4,7-8H2
InChIKeyPIDZWGMAEUSHPU-UHFFFAOYSA-N
MW164.20 g/mol
LogP-2.36
Rot. Bonds6

About 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol

1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol (PubChem CID 15323033) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
PubChem CID15323033
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC Name1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
SMILESNCC(O)COCC(O)CN
InChIInChI=1S/C6H16N2O3/c7-1-5(9)3-11-4-6(10)2-8/h5-6,9-10H,1-4,7-8H2
InChIKeyPIDZWGMAEUSHPU-UHFFFAOYSA-N
XLogP-2.36
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-
CID 66985
1-Amino-3-(propan-2-yloxy)propan-2-ol
CID 662350
2-(3-Aminopropoxy)ethanol
CID 249902
1-Amino-3-methoxypropan-2-ol
CID 124510
(2R)-1-amino-3-methoxypropan-2-ol
CID 1891101
1-Amino-3-(2-methylpropoxy)propan-2-ol
CID 14142114
1-Amino-3-ethoxypropan-2-ol
CID 15683480
1-Amino-3-(2,2,2-trifluoroethoxy)propan-2-OL
CID 16784702
1-Amino-3-(tert-butoxy)propan-2-ol
CID 19012483
1-Amino-3-(2-(2-methoxyethoxy)ethoxy)propan-2-ol
CID 112693098
1-Amino-3-ethoxy-propan-2-ol hydrochloride
CID 20345745
1-Amino-3-(2-ethoxyethoxy)propan-2-OL
CID 20116620

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol (CID 15323033) is 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol is NCC(O)COCC(O)CN.
What is the InChIKey of 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol?
The InChIKey is PIDZWGMAEUSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3/c7-1-5(9)3-11-4-6(10)2-8/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol?
1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol has a molecular weight of 164.20 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 15323033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).