(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine

C12H21NO — CID 166130758

IUPAC(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine
SMILESCCC/C=C/C=C(C)\C(OC)=C(/C)N
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-10(2)12(14-4)11(3)13/h7-9H,5-6,13H2,1-4H3/b8-7+,10-9-,12-11-
InChIKeyZQANPKJHKSAQGO-JZEGGRRDSA-N
MW195.31 g/mol
LogP3.13
Rot. Bonds5

About (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine

(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine (PubChem CID 166130758) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine
PubChem CID166130758
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine
SMILESCCC/C=C/C=C(C)\C(OC)=C(/C)N
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-10(2)12(14-4)11(3)13/h7-9H,5-6,13H2,1-4H3/b8-7+,10-9-,12-11-
InChIKeyZQANPKJHKSAQGO-JZEGGRRDSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine
CID 163241946
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
2-Methoxycyclohexa-1,3-dien-1-amine
CID 89035381
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
7-Ethoxy-2,3-dihydronaphthalene-1,8-diamine
CID 89643462
5H-chromen-8-amine
CID 90357645
6-Methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 123947578
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine (CID 166130758) is (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine is CCC/C=C/C=C(C)\C(OC)=C(/C)N.
What is the InChIKey of (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine?
The InChIKey is ZQANPKJHKSAQGO-JZEGGRRDSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-7-8-9-10(2)12(14-4)11(3)13/h7-9H,5-6,13H2,1-4H3/b8-7+,10-9-,12-11-.
What are the key properties of (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine?
(2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-3-methoxy-4-methyldeca-2,4,6-trien-2-amine is sourced from PubChem (CID 166130758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).