N'-(2-aminoethyl)ethane-1,2-diamine

C4H13N3 — CID 8111

IUPACN'-(2-aminoethyl)ethane-1,2-diamine
SMILESNCCNCCN
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.51
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine

N'-(2-aminoethyl)ethane-1,2-diamine (PubChem CID 8111) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine
PubChem CID8111
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine
SMILESNCCNCCN
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-N
XLogP-1.51
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 8795
Piperazine, hydrochloride (1:?)
CID 82044
Colestipol Hydrochloride
CID 3084661
1,4,7,10-Tetraazacyclododecane
CID 64963
Triethylethylenediamine
CID 66040
Pentaethylenehexamine
CID 19990
1,4,7-Triazacyclononane
CID 188318
N,N'-Dimethylethylenediamine
CID 8070

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine (CID 8111) is N'-(2-aminoethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine is NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine?
The InChIKey is RPNUMPOLZDHAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine?
N'-(2-aminoethyl)ethane-1,2-diamine has a molecular weight of 103.17 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine is sourced from PubChem (CID 8111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).