1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine

C20H45N3 — CID 18364433

IUPAC1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CNCCN
InChIInChI=1S/C20H45N3/c1-5-9-13-20(14-10-6-2,19-22-16-15-21)23(17-11-7-3)18-12-8-4/h22H,5-19,21H2,1-4H3
InChIKeyLZMZVZZRMLOBDE-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.56
Rot. Bonds17

About 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine

1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine (PubChem CID 18364433) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine
PubChem CID18364433
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CNCCN
InChIInChI=1S/C20H45N3/c1-5-9-13-20(14-10-6-2,19-22-16-15-21)23(17-11-7-3)18-12-8-4/h22H,5-19,21H2,1-4H3
InChIKeyLZMZVZZRMLOBDE-UHFFFAOYSA-N
XLogP4.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine (CID 18364433) is 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine is CCCCN(CCCC)C(CCCC)(CCCC)CNCCN.
What is the InChIKey of 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine?
The InChIKey is LZMZVZZRMLOBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-5-9-13-20(14-10-6-2,19-22-16-15-21)23(17-11-7-3)18-12-8-4/h22H,5-19,21H2,1-4H3.
What are the key properties of 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine?
1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine has a molecular weight of 327.60 g/mol, XLogP of 4.56, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-2-N,2-N,2-tributylhexane-1,2-diamine is sourced from PubChem (CID 18364433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).