1-[bis(3-aminopropyl)amino]propan-2-ol

C9H23N3O — CID 88627199

IUPAC1-[bis(3-aminopropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)CCCN
InChIInChI=1S/C9H23N3O/c1-9(13)8-12(6-2-4-10)7-3-5-11/h9,13H,2-8,10-11H2,1H3
InChIKeyWEIRVTXRIQXHDZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.63
Rot. Bonds8

About 1-[bis(3-aminopropyl)amino]propan-2-ol

1-[bis(3-aminopropyl)amino]propan-2-ol (PubChem CID 88627199) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[bis(3-aminopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(3-aminopropyl)amino]propan-2-ol
PubChem CID88627199
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name1-[bis(3-aminopropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)CCCN
InChIInChI=1S/C9H23N3O/c1-9(13)8-12(6-2-4-10)7-3-5-11/h9,13H,2-8,10-11H2,1H3
InChIKeyWEIRVTXRIQXHDZ-UHFFFAOYSA-N
XLogP-0.63
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
1-[3-aminopropyl-[13-[3-aminopropyl(2-hydroxytetradecyl)amino]tridecyl]amino]tetradecan-2-ol
CID 59095622
1-[3-aminopropyl-[12-[3-aminopropyl(2-hydroxyhexadecyl)amino]dodecyl]amino]hexadecan-2-ol
CID 71359787
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-aminopropyl)amino]propan-2-ol?
The IUPAC name of 1-[bis(3-aminopropyl)amino]propan-2-ol (CID 88627199) is 1-[bis(3-aminopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis(3-aminopropyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis(3-aminopropyl)amino]propan-2-ol is CC(O)CN(CCCN)CCCN.
What is the InChIKey of 1-[bis(3-aminopropyl)amino]propan-2-ol?
The InChIKey is WEIRVTXRIQXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O/c1-9(13)8-12(6-2-4-10)7-3-5-11/h9,13H,2-8,10-11H2,1H3.
What are the key properties of 1-[bis(3-aminopropyl)amino]propan-2-ol?
1-[bis(3-aminopropyl)amino]propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of -0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-aminopropyl)amino]propan-2-ol is sourced from PubChem (CID 88627199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).