1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol

C9H22N2O3 — CID 62141108

IUPAC1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCN
InChIInChI=1S/C9H22N2O3/c1-2-13-5-6-14-8-9(12)7-11-4-3-10/h9,11-12H,2-8,10H2,1H3
InChIKeyNHDBCENHQQIJHW-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.05
Rot. Bonds10

About 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol

1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 62141108) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID62141108
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCN
InChIInChI=1S/C9H22N2O3/c1-2-13-5-6-14-8-9(12)7-11-4-3-10/h9,11-12H,2-8,10H2,1H3
InChIKeyNHDBCENHQQIJHW-UHFFFAOYSA-N
XLogP-1.05
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
CID 20686698
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol (CID 62141108) is 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is NHDBCENHQQIJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-2-13-5-6-14-8-9(12)7-11-4-3-10/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of -1.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 62141108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).