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

C12H29N3 — CID 18364441

IUPAC1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)CNCCN
InChIInChI=1S/C12H29N3/c1-5-12(6-2,11-14-10-9-13)15(7-3)8-4/h14H,5-11,13H2,1-4H3
InChIKeyMCGQNUMIPZKLNM-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.44
Rot. Bonds9

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

1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine (PubChem CID 18364441) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine
PubChem CID18364441
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)CNCCN
InChIInChI=1S/C12H29N3/c1-5-12(6-2,11-14-10-9-13)15(7-3)8-4/h14H,5-11,13H2,1-4H3
InChIKeyMCGQNUMIPZKLNM-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.44
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-triethylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine (CID 18364441) is 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine is CCN(CC)C(CC)(CC)CNCCN.
What is the InChIKey of 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The InChIKey is MCGQNUMIPZKLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-5-12(6-2,11-14-10-9-13)15(7-3)8-4/h14H,5-11,13H2,1-4H3.
What are the key properties of 1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
1-N-(2-aminoethyl)-2-N,2-N,2-triethylbutane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.44, 9 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-triethylbutane-1,2-diamine is sourced from PubChem (CID 18364441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).