1-N',1-N'-bis(ethylamino)ethane-1,1-diamine

C6H18N4 — CID 88836767

IUPAC1-N',1-N'-bis(ethylamino)ethane-1,1-diamine
SMILESCCNN(NCC)C(C)N
InChIInChI=1S/C6H18N4/c1-4-8-10(6(3)7)9-5-2/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHVEFGXZMFWLNIK-UHFFFAOYSA-N
MW146.24 g/mol
LogP-0.36
Rot. Bonds5

About 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine

1-N',1-N'-bis(ethylamino)ethane-1,1-diamine (PubChem CID 88836767) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-bis(ethylamino)ethane-1,1-diamine
PubChem CID88836767
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name1-N',1-N'-bis(ethylamino)ethane-1,1-diamine
SMILESCCNN(NCC)C(C)N
InChIInChI=1S/C6H18N4/c1-4-8-10(6(3)7)9-5-2/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHVEFGXZMFWLNIK-UHFFFAOYSA-N
XLogP-0.36
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine?
The IUPAC name of 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine (CID 88836767) is 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine is CCNN(NCC)C(C)N.
What is the InChIKey of 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine?
The InChIKey is HVEFGXZMFWLNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-4-8-10(6(3)7)9-5-2/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine?
1-N',1-N'-bis(ethylamino)ethane-1,1-diamine has a molecular weight of 146.24 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(ethylamino)ethane-1,1-diamine is sourced from PubChem (CID 88836767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).