(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine

C11H18N2 — CID 166834033

IUPAC(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C(C)N)/C=N/C
InChIInChI=1S/C11H18N2/c1-9(7-11(3)12)5-6-10(2)8-13-4/h5-8,11H,2,12H2,1,3-4H3/b6-5-,9-7-,13-8+
InChIKeyAFVSHTGNOSDHNL-SHMJDXFTSA-N
MW178.28 g/mol
LogP2.09
Rot. Bonds4

About (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine

(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine (PubChem CID 166834033) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine
PubChem CID166834033
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C(C)N)/C=N/C
InChIInChI=1S/C11H18N2/c1-9(7-11(3)12)5-6-10(2)8-13-4/h5-8,11H,2,12H2,1,3-4H3/b6-5-,9-7-,13-8+
InChIKeyAFVSHTGNOSDHNL-SHMJDXFTSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.09
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 (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine?
The IUPAC name of (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine (CID 166834033) is (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine?
The canonical SMILES for (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine is C=C(/C=C\C(C)=C/C(C)N)/C=N/C.
What is the InChIKey of (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine?
The InChIKey is AFVSHTGNOSDHNL-SHMJDXFTSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(7-11(3)12)5-6-10(2)8-13-4/h5-8,11H,2,12H2,1,3-4H3/b6-5-,9-7-,13-8+.
What are the key properties of (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine?
(3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methyl-7-(methyliminomethyl)octa-3,5,7-trien-2-amine is sourced from PubChem (CID 166834033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).