1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine

C8H16N2 — CID 88569863

IUPAC1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine
SMILESC=C/C(=C\NC(C)N)CC
InChIInChI=1S/C8H16N2/c1-4-8(5-2)6-10-7(3)9/h4,6-7,10H,1,5,9H2,2-3H3/b8-6+
InChIKeyIXLYPMHUIQZEKH-SOFGYWHQSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds4

About 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine

1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine (PubChem CID 88569863) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine
PubChem CID88569863
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine
SMILESC=C/C(=C\NC(C)N)CC
InChIInChI=1S/C8H16N2/c1-4-8(5-2)6-10-7(3)9/h4,6-7,10H,1,5,9H2,2-3H3/b8-6+
InChIKeyIXLYPMHUIQZEKH-SOFGYWHQSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine (CID 88569863) is 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine is C=C/C(=C\NC(C)N)CC.
What is the InChIKey of 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine?
The InChIKey is IXLYPMHUIQZEKH-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(5-2)6-10-7(3)9/h4,6-7,10H,1,5,9H2,2-3H3/b8-6+.
What are the key properties of 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine?
1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine is sourced from PubChem (CID 88569863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).