(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine

C14H32N4 — CID 6532281

IUPAC(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
SMILESCCNCCCNC/C=C/CNCCCNCC
InChIInChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+
InChIKeyXFWLTFZLLXVKDY-AATRIKPKSA-N
MW256.44 g/mol
LogP0.72
Rot. Bonds14

About (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine

(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine (PubChem CID 6532281) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
PubChem CID6532281
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
SMILESCCNCCCNC/C=C/CNCCCNCC
InChIInChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+
InChIKeyXFWLTFZLLXVKDY-AATRIKPKSA-N
XLogP0.72
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine (CID 6532281) is (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine is CCNCCCNC/C=C/CNCCCNCC.
What is the InChIKey of (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine?
The InChIKey is XFWLTFZLLXVKDY-AATRIKPKSA-N. The full InChI is InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine?
(E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine has a molecular weight of 256.44 g/mol, XLogP of 0.72, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 6532281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).