3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride

C11H29Cl3N6O2 — CID 141470746

IUPAC3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride
SMILESCl.Cl.Cl.[N-]=[N+]=NCCOCCOCC(CN)(CCN)CCN
InChIInChI=1S/C11H26N6O2.3ClH/c12-3-1-11(9-14,2-4-13)10-19-8-7-18-6-5-16-17-15;;;/h1-10,12-14H2;3*1H
InChIKeyFWLNLWSPNYUJNE-UHFFFAOYSA-N
MW383.75 g/mol
LogP1.24
Rot. Bonds13

About 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride

3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride (PubChem CID 141470746) has the molecular formula C11H29Cl3N6O2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride
PubChem CID141470746
Molecular FormulaC11H29Cl3N6O2
Molecular Weight383.75 g/mol
Exact Mass382.14
IUPAC Name3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride
SMILESCl.Cl.Cl.[N-]=[N+]=NCCOCCOCC(CN)(CCN)CCN
InChIInChI=1S/C11H26N6O2.3ClH/c12-3-1-11(9-14,2-4-13)10-19-8-7-18-6-5-16-17-15;;;/h1-10,12-14H2;3*1H
InChIKeyFWLNLWSPNYUJNE-UHFFFAOYSA-N
XLogP1.24
TPSA145.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
CID 140930764
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol
CID 165387139
1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane
CID 59660898
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
CID 163523184
2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
CID 102514805
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 172639428
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 75535108
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10940805
1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 170117049

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride?
The IUPAC name of 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride (CID 141470746) is 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride?
The canonical SMILES for 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride is Cl.Cl.Cl.[N-]=[N+]=NCCOCCOCC(CN)(CCN)CCN.
What is the InChIKey of 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride?
The InChIKey is FWLNLWSPNYUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N6O2.3ClH/c12-3-1-11(9-14,2-4-13)10-19-8-7-18-6-5-16-17-15;;;/h1-10,12-14H2;3*1H.
What are the key properties of 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride?
3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride has a molecular weight of 383.75 g/mol, XLogP of 1.24, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride is sourced from PubChem (CID 141470746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).