1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol

C19H46N4O5 — CID 19893086

IUPAC1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CNCCN
InChIInChI=1S/C14H32N2O4.C5H14N2O/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;1-5(8)4-7-3-2-6/h11-14,17-20H,5-10H2,1-4H3;5,7-8H,2-4,6H2,1H3
InChIKeyXDRVXHXTHNXDBT-UHFFFAOYSA-N
MW410.60 g/mol
LogP-1.97
Rot. Bonds15

About 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol

1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19893086) has the molecular formula C19H46N4O5 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19893086
Molecular FormulaC19H46N4O5
Molecular Weight410.60 g/mol
Exact Mass410.35
IUPAC Name1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CNCCN
InChIInChI=1S/C14H32N2O4.C5H14N2O/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;1-5(8)4-7-3-2-6/h11-14,17-20H,5-10H2,1-4H3;5,7-8H,2-4,6H2,1H3
InChIKeyXDRVXHXTHNXDBT-UHFFFAOYSA-N
XLogP-1.97
TPSA145.68 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 5-1.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol
CID 146752461
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
CID 118243560
1-(2-aminoethylamino)propan-2-ol;4,5-diamino-4,5-bis(2-hydroxypropyl)octane-2,7-diol
CID 88740283
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine
CID 159232576
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
CID 149151222
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol (CID 19893086) is 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is XDRVXHXTHNXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4.C5H14N2O/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;1-5(8)4-7-3-2-6/h11-14,17-20H,5-10H2,1-4H3;5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol?
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 410.60 g/mol, XLogP of -1.97, 15 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19893086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).