(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine

C14H24N2 — CID 166778789

IUPAC(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine
SMILESC=C(C/C=C/C(/C=N/C)=C(/C)CC)C(C)N
InChIInChI=1S/C14H24N2/c1-6-11(2)14(10-16-5)9-7-8-12(3)13(4)15/h7,9-10,13H,3,6,8,15H2,1-2,4-5H3/b9-7+,14-11+,16-10+
InChIKeyZLOLNLDFDAFTBS-BFJMMIAYSA-N
MW220.36 g/mol
LogP3.26
Rot. Bonds6

About (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine

(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine (PubChem CID 166778789) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine.

Molecular Properties

Compound Name(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine
PubChem CID166778789
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine
SMILESC=C(C/C=C/C(/C=N/C)=C(/C)CC)C(C)N
InChIInChI=1S/C14H24N2/c1-6-11(2)14(10-16-5)9-7-8-12(3)13(4)15/h7,9-10,13H,3,6,8,15H2,1-2,4-5H3/b9-7+,14-11+,16-10+
InChIKeyZLOLNLDFDAFTBS-BFJMMIAYSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine?
The IUPAC name of (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine (CID 166778789) is (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine.
What is the SMILES notation for (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine?
The canonical SMILES for (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine is C=C(C/C=C/C(/C=N/C)=C(/C)CC)C(C)N.
What is the InChIKey of (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine?
The InChIKey is ZLOLNLDFDAFTBS-BFJMMIAYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-11(2)14(10-16-5)9-7-8-12(3)13(4)15/h7,9-10,13H,3,6,8,15H2,1-2,4-5H3/b9-7+,14-11+,16-10+.
What are the key properties of (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine?
(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine is sourced from PubChem (CID 166778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).