ethane-1,1,1,2-tetramine

C2H10N4 — CID 20537652

IUPACethane-1,1,1,2-tetramine
SMILESNCC(N)(N)N
InChIInChI=1S/C2H10N4/c3-1-2(4,5)6/h1,3-6H2
InChIKeyGPQWKLDEDGOJQH-UHFFFAOYSA-N
MW90.13 g/mol
LogP-2.53
Rot. Bonds1

About ethane-1,1,1,2-tetramine

ethane-1,1,1,2-tetramine (PubChem CID 20537652) has the molecular formula C2H10N4 and a molecular weight of 90.13 g/mol. Its IUPAC name is ethane-1,1,1,2-tetramine.

Molecular Properties

Compound Nameethane-1,1,1,2-tetramine
PubChem CID20537652
Molecular FormulaC2H10N4
Molecular Weight90.13 g/mol
Exact Mass90.09
IUPAC Nameethane-1,1,1,2-tetramine
SMILESNCC(N)(N)N
InChIInChI=1S/C2H10N4/c3-1-2(4,5)6/h1,3-6H2
InChIKeyGPQWKLDEDGOJQH-UHFFFAOYSA-N
XLogP-2.53
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.13
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1,1,2-tetramine?
The IUPAC name of ethane-1,1,1,2-tetramine (CID 20537652) is ethane-1,1,1,2-tetramine.
What is the SMILES notation for ethane-1,1,1,2-tetramine?
The canonical SMILES for ethane-1,1,1,2-tetramine is NCC(N)(N)N.
What is the InChIKey of ethane-1,1,1,2-tetramine?
The InChIKey is GPQWKLDEDGOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N4/c3-1-2(4,5)6/h1,3-6H2.
What are the key properties of ethane-1,1,1,2-tetramine?
ethane-1,1,1,2-tetramine has a molecular weight of 90.13 g/mol, XLogP of -2.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1,1,2-tetramine is sourced from PubChem (CID 20537652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).