2-N-ethylethane-1,1,2-triamine

C4H13N3 — CID 14029763

IUPAC2-N-ethylethane-1,1,2-triamine
SMILESCCNCC(N)N
InChIInChI=1S/C4H13N3/c1-2-7-3-4(5)6/h4,7H,2-3,5-6H2,1H3
InChIKeySPGHPHFQNQIZME-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.16
Rot. Bonds3

About 2-N-ethylethane-1,1,2-triamine

2-N-ethylethane-1,1,2-triamine (PubChem CID 14029763) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is 2-N-ethylethane-1,1,2-triamine.

Molecular Properties

Compound Name2-N-ethylethane-1,1,2-triamine
PubChem CID14029763
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name2-N-ethylethane-1,1,2-triamine
SMILESCCNCC(N)N
InChIInChI=1S/C4H13N3/c1-2-7-3-4(5)6/h4,7H,2-3,5-6H2,1H3
InChIKeySPGHPHFQNQIZME-UHFFFAOYSA-N
XLogP-1.16
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Triethylenetetramine
CID 5565
Diethylenetriamine
CID 8111
Triethylethylenediamine
CID 66040
N,N-Diethylethylenediamine
CID 60993
N,N'-Dimethylethylenediamine
CID 8070
N-Isopropylethylenediamine
CID 88098
N-Methylethylenediamine
CID 8014
N-ethylbis(2-ethylaminoethyl)amine
CID 66931
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
N-Ethylethylenediamine
CID 66071
1-Propylethylenediamine
CID 66073

Frequently Asked Questions

What is the IUPAC name of 2-N-ethylethane-1,1,2-triamine?
The IUPAC name of 2-N-ethylethane-1,1,2-triamine (CID 14029763) is 2-N-ethylethane-1,1,2-triamine.
What is the SMILES notation for 2-N-ethylethane-1,1,2-triamine?
The canonical SMILES for 2-N-ethylethane-1,1,2-triamine is CCNCC(N)N.
What is the InChIKey of 2-N-ethylethane-1,1,2-triamine?
The InChIKey is SPGHPHFQNQIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-2-7-3-4(5)6/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-N-ethylethane-1,1,2-triamine?
2-N-ethylethane-1,1,2-triamine has a molecular weight of 103.17 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylethane-1,1,2-triamine is sourced from PubChem (CID 14029763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).