1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine

C22H50N4 — CID 19356919

IUPAC1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CNCCNCCN
InChIInChI=1S/C22H50N4/c1-5-9-13-22(14-10-6-2,21-25-18-17-24-16-15-23)26(19-11-7-3)20-12-8-4/h24-25H,5-21,23H2,1-4H3
InChIKeyGNLCCKZVINPDCM-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.15
Rot. Bonds20

About 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine

1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine (PubChem CID 19356919) has the molecular formula C22H50N4 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine
PubChem CID19356919
Molecular FormulaC22H50N4
Molecular Weight370.67 g/mol
Exact Mass370.40
IUPAC Name1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CNCCNCCN
InChIInChI=1S/C22H50N4/c1-5-9-13-22(14-10-6-2,21-25-18-17-24-16-15-23)26(19-11-7-3)20-12-8-4/h24-25H,5-21,23H2,1-4H3
InChIKeyGNLCCKZVINPDCM-UHFFFAOYSA-N
XLogP4.15
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine?
The IUPAC name of 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine (CID 19356919) is 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine is CCCCN(CCCC)C(CCCC)(CCCC)CNCCNCCN.
What is the InChIKey of 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine?
The InChIKey is GNLCCKZVINPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N4/c1-5-9-13-22(14-10-6-2,21-25-18-17-24-16-15-23)26(19-11-7-3)20-12-8-4/h24-25H,5-21,23H2,1-4H3.
What are the key properties of 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine?
1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine has a molecular weight of 370.67 g/mol, XLogP of 4.15, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-aminoethylamino)ethyl]-2-N,2-N,2-tributylhexane-1,2-diamine is sourced from PubChem (CID 19356919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).