4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine

C14H33N3 — CID 18694598

IUPAC4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine
SMILESCCC(NCCN)C(CC)(CC)N(CC)CC
InChIInChI=1S/C14H33N3/c1-6-13(16-12-11-15)14(7-2,8-3)17(9-4)10-5/h13,16H,6-12,15H2,1-5H3
InChIKeyZIONWJXKNQBFPH-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.21
Rot. Bonds10

About 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine

4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine (PubChem CID 18694598) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine
PubChem CID18694598
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine
SMILESCCC(NCCN)C(CC)(CC)N(CC)CC
InChIInChI=1S/C14H33N3/c1-6-13(16-12-11-15)14(7-2,8-3)17(9-4)10-5/h13,16H,6-12,15H2,1-5H3
InChIKeyZIONWJXKNQBFPH-UHFFFAOYSA-N
XLogP2.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine (CID 18694598) is 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine is CCC(NCCN)C(CC)(CC)N(CC)CC.
What is the InChIKey of 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine?
The InChIKey is ZIONWJXKNQBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-6-13(16-12-11-15)14(7-2,8-3)17(9-4)10-5/h13,16H,6-12,15H2,1-5H3.
What are the key properties of 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine?
4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-3-N,3-N,3-triethylhexane-3,4-diamine is sourced from PubChem (CID 18694598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).