4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol

C18H42N4O2 — CID 178169165

IUPAC4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
SMILESOCCCCNCCCNCCCCNCCCNCCCCO
InChIInChI=1S/C18H42N4O2/c23-17-5-3-11-21-15-7-13-19-9-1-2-10-20-14-8-16-22-12-4-6-18-24/h19-24H,1-18H2
InChIKeyMMIXZAWBJPWUHL-UHFFFAOYSA-N
MW346.56 g/mol
LogP0.45
Rot. Bonds21

About 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol

4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol (PubChem CID 178169165) has the molecular formula C18H42N4O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol.

Molecular Properties

Compound Name4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
PubChem CID178169165
Molecular FormulaC18H42N4O2
Molecular Weight346.56 g/mol
Exact Mass346.33
IUPAC Name4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
SMILESOCCCCNCCCNCCCCNCCCNCCCCO
InChIInChI=1S/C18H42N4O2/c23-17-5-3-11-21-15-7-13-19-9-1-2-10-20-14-8-16-22-12-4-6-18-24/h19-24H,1-18H2
InChIKeyMMIXZAWBJPWUHL-UHFFFAOYSA-N
XLogP0.45
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 50.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
4-(3-aminopropylamino)butan-1-ol
CID 10725491
8-(undecylamino)octan-1-ol
CID 139305047
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
3-(5-hydroxypentylamino)propanamide
CID 62227149

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol?
The IUPAC name of 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol (CID 178169165) is 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol.
What is the SMILES notation for 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol?
The canonical SMILES for 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol is OCCCCNCCCNCCCCNCCCNCCCCO.
What is the InChIKey of 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol?
The InChIKey is MMIXZAWBJPWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O2/c23-17-5-3-11-21-15-7-13-19-9-1-2-10-20-14-8-16-22-12-4-6-18-24/h19-24H,1-18H2.
What are the key properties of 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol?
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol has a molecular weight of 346.56 g/mol, XLogP of 0.45, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol is sourced from PubChem (CID 178169165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).