N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine

C12H24N2 — CID 46203485

IUPACN'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CNCCN
InChIInChI=1S/C12H24N2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7,14H,4,6,8-10,13H2,1-3H3/b12-7+
InChIKeyJCIITWXLJRJGNM-KPKJPENVSA-N
MW196.34 g/mol
LogP2.23
Rot. Bonds7

About N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine

N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine (PubChem CID 46203485) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
PubChem CID46203485
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CNCCN
InChIInChI=1S/C12H24N2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7,14H,4,6,8-10,13H2,1-3H3/b12-7+
InChIKeyJCIITWXLJRJGNM-KPKJPENVSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine (CID 46203485) is N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine is CC(C)=CCC/C(C)=C/CNCCN.
What is the InChIKey of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine?
The InChIKey is JCIITWXLJRJGNM-KPKJPENVSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7,14H,4,6,8-10,13H2,1-3H3/b12-7+.
What are the key properties of N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine?
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 46203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).