N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine

C24H49N5O6 — CID 134179668

IUPACN-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine
SMILESCCCCN(CCCN1COCOC1)CCN(CCCN1COCOC1)CCCN1COCOC1
InChIInChI=1S/C24H49N5O6/c1-2-3-7-25(8-4-11-27-16-30-22-31-17-27)14-15-26(9-5-12-28-18-32-23-33-19-28)10-6-13-29-20-34-24-35-21-29/h2-24H2,1H3
InChIKeyCOMNOGJSAFIWDZ-UHFFFAOYSA-N
MW503.69 g/mol
LogP1.22
Rot. Bonds18

About N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine

N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine (PubChem CID 134179668) has the molecular formula C24H49N5O6 and a molecular weight of 503.69 g/mol. Its IUPAC name is N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine
PubChem CID134179668
Molecular FormulaC24H49N5O6
Molecular Weight503.69 g/mol
Exact Mass503.37
IUPAC NameN-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine
SMILESCCCCN(CCCN1COCOC1)CCN(CCCN1COCOC1)CCCN1COCOC1
InChIInChI=1S/C24H49N5O6/c1-2-3-7-25(8-4-11-27-16-30-22-31-17-27)14-15-26(9-5-12-28-18-32-23-33-19-28)10-6-13-29-20-34-24-35-21-29/h2-24H2,1H3
InChIKeyCOMNOGJSAFIWDZ-UHFFFAOYSA-N
XLogP1.22
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;1,4-dioxane
CID 67854629
N-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 63389180
N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
CID 142586854
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
CID 18002145
N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine (CID 134179668) is N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine is CCCCN(CCCN1COCOC1)CCN(CCCN1COCOC1)CCCN1COCOC1.
What is the InChIKey of N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine?
The InChIKey is COMNOGJSAFIWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N5O6/c1-2-3-7-25(8-4-11-27-16-30-22-31-17-27)14-15-26(9-5-12-28-18-32-23-33-19-28)10-6-13-29-20-34-24-35-21-29/h2-24H2,1H3.
What are the key properties of N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine?
N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine has a molecular weight of 503.69 g/mol, XLogP of 1.22, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,N',N'-tris[3-(1,3,5-dioxazinan-5-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 134179668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).