1-N-ethylocta-6,7-diene-1,4-diamine

C10H20N2 — CID 54112890

IUPAC1-N-ethylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)CCCNCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(11)8-6-9-12-4-2/h5,10,12H,1,4,6-9,11H2,2H3
InChIKeyNIHYLYCFVADCDP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.43
Rot. Bonds7

About 1-N-ethylocta-6,7-diene-1,4-diamine

1-N-ethylocta-6,7-diene-1,4-diamine (PubChem CID 54112890) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N-ethylocta-6,7-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethylocta-6,7-diene-1,4-diamine
PubChem CID54112890
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N-ethylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)CCCNCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(11)8-6-9-12-4-2/h5,10,12H,1,4,6-9,11H2,2H3
InChIKeyNIHYLYCFVADCDP-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethylocta-6,7-diene-1,4-diamine?
The IUPAC name of 1-N-ethylocta-6,7-diene-1,4-diamine (CID 54112890) is 1-N-ethylocta-6,7-diene-1,4-diamine.
What is the SMILES notation for 1-N-ethylocta-6,7-diene-1,4-diamine?
The canonical SMILES for 1-N-ethylocta-6,7-diene-1,4-diamine is C=C=CCC(N)CCCNCC.
What is the InChIKey of 1-N-ethylocta-6,7-diene-1,4-diamine?
The InChIKey is NIHYLYCFVADCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-7-10(11)8-6-9-12-4-2/h5,10,12H,1,4,6-9,11H2,2H3.
What are the key properties of 1-N-ethylocta-6,7-diene-1,4-diamine?
1-N-ethylocta-6,7-diene-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethylocta-6,7-diene-1,4-diamine is sourced from PubChem (CID 54112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).