1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol

C14H30N2O4 — CID 22014460

IUPAC1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESC=C(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C14H30N2O4/c1-10(17)6-15(7-11(2)18)14(5)16(8-12(3)19)9-13(4)20/h10-13,17-20H,5-9H2,1-4H3
InChIKeyFYTNWYPDLBCOAC-UHFFFAOYSA-N
MW290.40 g/mol
LogP-0.42
Rot. Bonds10

About 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol

1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 22014460) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID22014460
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESC=C(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C14H30N2O4/c1-10(17)6-15(7-11(2)18)14(5)16(8-12(3)19)9-13(4)20/h10-13,17-20H,5-9H2,1-4H3
InChIKeyFYTNWYPDLBCOAC-UHFFFAOYSA-N
XLogP-0.42
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[[Bis(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 170848791
1-[1-(Diethylamino)propyl-ethylamino]propan-2-ol
CID 17853710
1-[1-(Diethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 17853715
1-[1-(Dimethylamino)propyl-methylamino]propan-2-ol
CID 17853719
1-[1-(Dimethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 17853725
2-[1-[Bis(2-hydroxyethyl)amino]ethenyl-(2-hydroxyethyl)amino]ethanol
CID 20488978
1-[[2-Hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
1-[Bis[1-(dimethylamino)propyl]amino]propan-2-ol
CID 22606974
1-[[Bis(2-hydroxypropyl)amino]methyl-(2-hydroxybutyl)amino]butan-2-ol
CID 53637696
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
1-[2-Hydroxyethyl-[[2-hydroxyethyl(2-hydroxypropyl)amino]methyl]amino]propan-2-ol
CID 59944686
1-(2,3-dimethyl-2H-imidazol-1-yl)propan-2-ol
CID 69235069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol (CID 22014460) is 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol is C=C(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is FYTNWYPDLBCOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-10(17)6-15(7-11(2)18)14(5)16(8-12(3)19)9-13(4)20/h10-13,17-20H,5-9H2,1-4H3.
What are the key properties of 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 290.40 g/mol, XLogP of -0.42, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 22014460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).