3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

C22H48N6O3 — CID 10741951

IUPAC3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESC(CNCCOCCOCCOCCNCCCN1CCCNC1)CN1CCCNC1
InChIInChI=1S/C22H48N6O3/c1(11-27-13-3-7-25-21-27)5-23-9-15-29-17-19-31-20-18-30-16-10-24-6-2-12-28-14-4-8-26-22-28/h23-26H,1-22H2
InChIKeySRXKCESRMIMPFB-UHFFFAOYSA-N
MW444.67 g/mol
LogP-0.50
Rot. Bonds20

About 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 10741951) has the molecular formula C22H48N6O3 and a molecular weight of 444.67 g/mol. Its IUPAC name is 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID10741951
Molecular FormulaC22H48N6O3
Molecular Weight444.67 g/mol
Exact Mass444.38
IUPAC Name3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESC(CNCCOCCOCCOCCNCCCN1CCCNC1)CN1CCCNC1
InChIInChI=1S/C22H48N6O3/c1(11-27-13-3-7-25-21-27)5-23-9-15-29-17-19-31-20-18-30-16-10-24-6-2-12-28-14-4-8-26-22-28/h23-26H,1-22H2
InChIKeySRXKCESRMIMPFB-UHFFFAOYSA-N
XLogP-0.50
TPSA82.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.67
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411
N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 59108273
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
1-(3-propoxypropyl)-1,5-diazocane
CID 82947499
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (CID 10741951) is 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is C(CNCCOCCOCCOCCNCCCN1CCCNC1)CN1CCCNC1.
What is the InChIKey of 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is SRXKCESRMIMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N6O3/c1(11-27-13-3-7-25-21-27)5-23-9-15-29-17-19-31-20-18-30-16-10-24-6-2-12-28-14-4-8-26-22-28/h23-26H,1-22H2.
What are the key properties of 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 444.67 g/mol, XLogP of -0.50, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 10741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).