1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H33N3O3 — CID 59969212

IUPAC1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(CN(CCN)CCN)OCC(O)COC(C)(C)C
InChIInChI=1S/C14H33N3O3/c1-12(9-17(7-5-15)8-6-16)19-10-13(18)11-20-14(2,3)4/h12-13,18H,5-11,15-16H2,1-4H3
InChIKeyUXVSDLWYZCOHHE-UHFFFAOYSA-N
MW291.44 g/mol
LogP-0.21
Rot. Bonds11

About 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 59969212) has the molecular formula C14H33N3O3 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID59969212
Molecular FormulaC14H33N3O3
Molecular Weight291.44 g/mol
Exact Mass291.25
IUPAC Name1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(CN(CCN)CCN)OCC(O)COC(C)(C)C
InChIInChI=1S/C14H33N3O3/c1-12(9-17(7-5-15)8-6-16)19-10-13(18)11-20-14(2,3)4/h12-13,18H,5-11,15-16H2,1-4H3
InChIKeyUXVSDLWYZCOHHE-UHFFFAOYSA-N
XLogP-0.21
TPSA93.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 59969212) is 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(CN(CCN)CCN)OCC(O)COC(C)(C)C.
What is the InChIKey of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is UXVSDLWYZCOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3/c1-12(9-17(7-5-15)8-6-16)19-10-13(18)11-20-14(2,3)4/h12-13,18H,5-11,15-16H2,1-4H3.
What are the key properties of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of -0.21, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 59969212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).