2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine

C4H16N6 — CID 87827712

IUPAC2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine
SMILESCCN(N)C(N)C(N)(N)N
InChIInChI=1S/C4H16N6/c1-2-10(9)3(5)4(6,7)8/h3H,2,5-9H2,1H3
InChIKeyPSZVJINULUMFLP-UHFFFAOYSA-N
MW148.21 g/mol
LogP-3.00
Rot. Bonds3

About 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine

2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine (PubChem CID 87827712) has the molecular formula C4H16N6 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine.

Molecular Properties

Compound Name2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine
PubChem CID87827712
Molecular FormulaC4H16N6
Molecular Weight148.21 g/mol
Exact Mass148.14
IUPAC Name2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine
SMILESCCN(N)C(N)C(N)(N)N
InChIInChI=1S/C4H16N6/c1-2-10(9)3(5)4(6,7)8/h3H,2,5-9H2,1H3
InChIKeyPSZVJINULUMFLP-UHFFFAOYSA-N
XLogP-3.00
TPSA133.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine?
The IUPAC name of 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine (CID 87827712) is 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine.
What is the SMILES notation for 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine?
The canonical SMILES for 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine is CCN(N)C(N)C(N)(N)N.
What is the InChIKey of 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine?
The InChIKey is PSZVJINULUMFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H16N6/c1-2-10(9)3(5)4(6,7)8/h3H,2,5-9H2,1H3.
What are the key properties of 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine?
2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine has a molecular weight of 148.21 g/mol, XLogP of -3.00, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]ethane-1,1,1,2-tetramine is sourced from PubChem (CID 87827712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).