1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

C19H44N4O2 — CID 87596645

IUPAC1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(CCCN(C)C)CCCN(C)C)CC(C)O
InChIInChI=1S/C19H44N4O2/c1-18(24)16-23(17-19(2)25)15-9-14-22(12-7-10-20(3)4)13-8-11-21(5)6/h18-19,24-25H,7-17H2,1-6H3
InChIKeyXOUUBIIWXXBSJN-UHFFFAOYSA-N
MW360.59 g/mol
LogP0.65
Rot. Bonds16

About 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 87596645) has the molecular formula C19H44N4O2 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID87596645
Molecular FormulaC19H44N4O2
Molecular Weight360.59 g/mol
Exact Mass360.35
IUPAC Name1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(CCCN(C)C)CCCN(C)C)CC(C)O
InChIInChI=1S/C19H44N4O2/c1-18(24)16-23(17-19(2)25)15-9-14-22(12-7-10-20(3)4)13-8-11-21(5)6/h18-19,24-25H,7-17H2,1-6H3
InChIKeyXOUUBIIWXXBSJN-UHFFFAOYSA-N
XLogP0.65
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 87596645) is 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCCN(CCCN(C)C)CCCN(C)C)CC(C)O.
What is the InChIKey of 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is XOUUBIIWXXBSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O2/c1-18(24)16-23(17-19(2)25)15-9-14-22(12-7-10-20(3)4)13-8-11-21(5)6/h18-19,24-25H,7-17H2,1-6H3.
What are the key properties of 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 360.59 g/mol, XLogP of 0.65, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 87596645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).