(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol

C13H32N4O2 — CID 10356108

IUPAC(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
SMILESCCNC[C@H](O)CNCCCNC[C@@H](O)CNCC
InChIInChI=1S/C13H32N4O2/c1-3-14-8-12(18)10-16-6-5-7-17-11-13(19)9-15-4-2/h12-19H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyIGWCSSDHSMRHNW-STQMWFEESA-N
MW276.42 g/mol
LogP-1.50
Rot. Bonds14

About (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol

(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol (PubChem CID 10356108) has the molecular formula C13H32N4O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
PubChem CID10356108
Molecular FormulaC13H32N4O2
Molecular Weight276.42 g/mol
Exact Mass276.25
IUPAC Name(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
SMILESCCNC[C@H](O)CNCCCNC[C@@H](O)CNCC
InChIInChI=1S/C13H32N4O2/c1-3-14-8-12(18)10-16-6-5-7-17-11-13(19)9-15-4-2/h12-19H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyIGWCSSDHSMRHNW-STQMWFEESA-N
XLogP-1.50
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 5-1.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol
CID 155469178
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
1-(ethylamino)hexan-2-ol
CID 54078804
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
1-(ethylamino)octan-2-ol
CID 62774096
1-(octadecylamino)butan-2-ol
CID 174541083
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol?
The IUPAC name of (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol (CID 10356108) is (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol?
The canonical SMILES for (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol is CCNC[C@H](O)CNCCCNC[C@@H](O)CNCC.
What is the InChIKey of (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol?
The InChIKey is IGWCSSDHSMRHNW-STQMWFEESA-N. The full InChI is InChI=1S/C13H32N4O2/c1-3-14-8-12(18)10-16-6-5-7-17-11-13(19)9-15-4-2/h12-19H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol?
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of -1.50, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol is sourced from PubChem (CID 10356108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).