(2E,6E)-8-iminoocta-2,6-dien-1-amine

C8H14N2 — CID 142215187

IUPAC(2E,6E)-8-iminoocta-2,6-dien-1-amine
SMILES[H]/N=C/C=C/CC/C=C/CN
InChIInChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8-10/h3-7,9H,1-2,8,10H2/b5-3+,6-4+,9-7+
InChIKeyNDGJNSVXPFBMIS-GJOOXVBWSA-N
MW138.21 g/mol
LogP1.49
Rot. Bonds5

About (2E,6E)-8-iminoocta-2,6-dien-1-amine

(2E,6E)-8-iminoocta-2,6-dien-1-amine (PubChem CID 142215187) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,6E)-8-iminoocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E,6E)-8-iminoocta-2,6-dien-1-amine
PubChem CID142215187
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E,6E)-8-iminoocta-2,6-dien-1-amine
SMILES[H]/N=C/C=C/CC/C=C/CN
InChIInChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8-10/h3-7,9H,1-2,8,10H2/b5-3+,6-4+,9-7+
InChIKeyNDGJNSVXPFBMIS-GJOOXVBWSA-N
XLogP1.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-iminoocta-2,6-dien-1-amine?
The IUPAC name of (2E,6E)-8-iminoocta-2,6-dien-1-amine (CID 142215187) is (2E,6E)-8-iminoocta-2,6-dien-1-amine.
What is the SMILES notation for (2E,6E)-8-iminoocta-2,6-dien-1-amine?
The canonical SMILES for (2E,6E)-8-iminoocta-2,6-dien-1-amine is [H]/N=C/C=C/CC/C=C/CN.
What is the InChIKey of (2E,6E)-8-iminoocta-2,6-dien-1-amine?
The InChIKey is NDGJNSVXPFBMIS-GJOOXVBWSA-N. The full InChI is InChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8-10/h3-7,9H,1-2,8,10H2/b5-3+,6-4+,9-7+.
What are the key properties of (2E,6E)-8-iminoocta-2,6-dien-1-amine?
(2E,6E)-8-iminoocta-2,6-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-iminoocta-2,6-dien-1-amine is sourced from PubChem (CID 142215187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).