1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol

C9H22N2O2 — CID 87634862

IUPAC1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
SMILESCCC(O)NCCCNC(O)CC
InChIInChI=1S/C9H22N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h8-13H,3-7H2,1-2H3
InChIKeyNGTSGNJXROGLFN-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.01
Rot. Bonds8

About 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol

1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol (PubChem CID 87634862) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
PubChem CID87634862
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
SMILESCCC(O)NCCCNC(O)CC
InChIInChI=1S/C9H22N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h8-13H,3-7H2,1-2H3
InChIKeyNGTSGNJXROGLFN-UHFFFAOYSA-N
XLogP0.01
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(butylamino)propan-1-ol
CID 153016894
1-(hexylamino)propan-1-ol
CID 57070645
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
1-(2-sulfanylethylamino)propan-1-ol
CID 90755386
1-[2-(dodecylamino)ethylamino]propan-1-ol
CID 88834870
1-(butylamino)-2-(sulfanylamino)ethanol
CID 138721720
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
2-amino-1-(pentylamino)ethanol
CID 88684452
1-(pentylamino)dodecan-1-ol
CID 88518034

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol?
The IUPAC name of 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol (CID 87634862) is 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol.
What is the SMILES notation for 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol?
The canonical SMILES for 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol is CCC(O)NCCCNC(O)CC.
What is the InChIKey of 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol?
The InChIKey is NGTSGNJXROGLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol?
1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol is sourced from PubChem (CID 87634862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).