(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine

C12H21N — CID 129212564

IUPAC(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine
SMILESC=C/C=C(\C=C)C(C)CC(C)CN
InChIInChI=1S/C12H21N/c1-5-7-12(6-2)11(4)8-10(3)9-13/h5-7,10-11H,1-2,8-9,13H2,3-4H3/b12-7+
InChIKeyOADZEXSPJRBJBH-KPKJPENVSA-N
MW179.31 g/mol
LogP2.91
Rot. Bonds6

About (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine

(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine (PubChem CID 129212564) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine
PubChem CID129212564
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine
SMILESC=C/C=C(\C=C)C(C)CC(C)CN
InChIInChI=1S/C12H21N/c1-5-7-12(6-2)11(4)8-10(3)9-13/h5-7,10-11H,1-2,8-9,13H2,3-4H3/b12-7+
InChIKeyOADZEXSPJRBJBH-KPKJPENVSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine?
The IUPAC name of (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine (CID 129212564) is (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine.
What is the SMILES notation for (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine?
The canonical SMILES for (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine is C=C/C=C(\C=C)C(C)CC(C)CN.
What is the InChIKey of (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine?
The InChIKey is OADZEXSPJRBJBH-KPKJPENVSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-12(6-2)11(4)8-10(3)9-13/h5-7,10-11H,1-2,8-9,13H2,3-4H3/b12-7+.
What are the key properties of (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine?
(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine is sourced from PubChem (CID 129212564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).