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

C8H21N3O2 — CID 88790660

IUPAC1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCC(N)(O)N(CCO)CCCN
InChIInChI=1S/C8H21N3O2/c1-2-8(10,13)11(6-7-12)5-3-4-9/h12-13H,2-7,9-10H2,1H3
InChIKeyPIWWKIOHDRTNNV-UHFFFAOYSA-N
MW191.27 g/mol
LogP-1.36
Rot. Bonds7

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

1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 88790660) has the molecular formula C8H21N3O2 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID88790660
Molecular FormulaC8H21N3O2
Molecular Weight191.27 g/mol
Exact Mass191.16
IUPAC Name1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCC(N)(O)N(CCO)CCCN
InChIInChI=1S/C8H21N3O2/c1-2-8(10,13)11(6-7-12)5-3-4-9/h12-13H,2-7,9-10H2,1H3
InChIKeyPIWWKIOHDRTNNV-UHFFFAOYSA-N
XLogP-1.36
TPSA95.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
2-[19-(2-aminoethyl)heptatriacontan-19-yl-(2-hydroxyethyl)amino]ethanol
CID 87653740
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
2-amino-2-[bis(2-hydroxyethyl)amino]propan-1-ol
CID 91535831
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
CID 88790453
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol (CID 88790660) is 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol is CCC(N)(O)N(CCO)CCCN.
What is the InChIKey of 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is PIWWKIOHDRTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2/c1-2-8(10,13)11(6-7-12)5-3-4-9/h12-13H,2-7,9-10H2,1H3.
What are the key properties of 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol?
1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-aminopropyl(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 88790660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).