(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine

C14H24N2 — CID 163302759

IUPAC(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine
SMILESC=CC(=C(\C)N)/C(C)=C(/C=N/C)[C@H](C)CC
InChIInChI=1S/C14H24N2/c1-7-10(3)14(9-16-6)11(4)13(8-2)12(5)15/h8-10H,2,7,15H2,1,3-6H3/b13-12-,14-11-,16-9+/t10-/m1/s1
InChIKeyVMRVRQJVQMIPNI-DYIUVGDRSA-N
MW220.36 g/mol
LogP3.47
Rot. Bonds5

About (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine

(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine (PubChem CID 163302759) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine
PubChem CID163302759
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine
SMILESC=CC(=C(\C)N)/C(C)=C(/C=N/C)[C@H](C)CC
InChIInChI=1S/C14H24N2/c1-7-10(3)14(9-16-6)11(4)13(8-2)12(5)15/h8-10H,2,7,15H2,1,3-6H3/b13-12-,14-11-,16-9+/t10-/m1/s1
InChIKeyVMRVRQJVQMIPNI-DYIUVGDRSA-N
XLogP3.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine (CID 163302759) is (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine is C=CC(=C(\C)N)/C(C)=C(/C=N/C)[C@H](C)CC.
What is the InChIKey of (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine?
The InChIKey is VMRVRQJVQMIPNI-DYIUVGDRSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-10(3)14(9-16-6)11(4)13(8-2)12(5)15/h8-10H,2,7,15H2,1,3-6H3/b13-12-,14-11-,16-9+/t10-/m1/s1.
What are the key properties of (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine?
(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine is sourced from PubChem (CID 163302759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).