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

C15H32N2O4 — CID 87655510

IUPAC1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC=C(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-14,18-21H,7-10H2,1-5H3
InChIKeyXBVNTLOJRYFANJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP-0.03
Rot. Bonds10

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

1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 87655510) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID87655510
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC=C(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-14,18-21H,7-10H2,1-5H3
InChIKeyXBVNTLOJRYFANJ-UHFFFAOYSA-N
XLogP-0.03
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[1-[Bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22014460
1-[2-Hydroxyethyl-[[2-hydroxyethyl(2-hydroxypropyl)amino]methyl]amino]propan-2-ol
CID 59944686
1-[1-[Bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87333488
2-[1-[Bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 87556561
3-[1-[Bis(2,3-dihydroxypropyl)amino]prop-1-enyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol
CID 87736507
1-[1-[Bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87774760
1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
1-[1-[Bis(2-hydroxypropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 141053088
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
1-[1-[Bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol
CID 168863790
1-[1-[Bis(2-hydroxypropyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol
CID 168863792
1-[1-[Bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 168863793

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol (CID 87655510) is 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol is CC=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]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is XBVNTLOJRYFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-14,18-21H,7-10H2,1-5H3.
What are the key properties of 1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[1-[bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 304.43 g/mol, XLogP of -0.03, 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]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 87655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).