6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine

C10H17NO — CID 123947578

IUPAC6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
SMILESC=C(C=CC(=C)C(C)(C)N)OC
InChIInChI=1S/C10H17NO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2,11H2,3-5H3
InChIKeyLANGLQFNCWMKPP-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds4

About 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine

6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine (PubChem CID 123947578) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
PubChem CID123947578
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
SMILESC=C(C=CC(=C)C(C)(C)N)OC
InChIInChI=1S/C10H17NO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2,11H2,3-5H3
InChIKeyLANGLQFNCWMKPP-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
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'}

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Related Compounds

Paramethylanisidine
CID 69626332
(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine
CID 143154581
4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 174383033
1-Methoxy-2,4-dimethylcyclohexa-2,5-diene-1,4-diamine
CID 21510752
1-Ethyl-4-methoxycyclohexa-2,4-dien-1-amine
CID 67766282
1-Methoxy-4-methylcyclohexa-2,4-dien-1-amine
CID 70545453
1-Methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine
CID 123293835
4-But-2-en-2-yloxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123685234
4-Ethenoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123759029
4-Methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123856084
(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
CID 129171754
(4E,6E,8E,10E)-11-(7-methoxycyclohepta-1,3,5-trien-1-yl)-3,4,7-trimethylundeca-4,6,8,10-tetraen-3-amine
CID 132062534

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine?
The IUPAC name of 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine (CID 123947578) is 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine.
What is the SMILES notation for 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine?
The canonical SMILES for 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine is C=C(C=CC(=C)C(C)(C)N)OC.
What is the InChIKey of 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine?
The InChIKey is LANGLQFNCWMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2,11H2,3-5H3.
What are the key properties of 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine?
6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine is sourced from PubChem (CID 123947578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).