(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine

C11H19NO — CID 165123596

IUPAC(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine
SMILESC=C/C(CC(C)N)=C(\C=C/C)OC
InChIInChI=1S/C11H19NO/c1-5-7-11(13-4)10(6-2)8-9(3)12/h5-7,9H,2,8,12H2,1,3-4H3/b7-5-,11-10-
InChIKeyBUXNHNPAKZZPFD-YLRXWAGNSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine

(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine (PubChem CID 165123596) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine
PubChem CID165123596
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine
SMILESC=C/C(CC(C)N)=C(\C=C/C)OC
InChIInChI=1S/C11H19NO/c1-5-7-11(13-4)10(6-2)8-9(3)12/h5-7,9H,2,8,12H2,1,3-4H3/b7-5-,11-10-
InChIKeyBUXNHNPAKZZPFD-YLRXWAGNSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
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

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CID 164885996
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3-Methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 169921220
2,5-Dimethoxy-5-methylamphetamine
CID 129703160
2-Ethyl-4-methoxy-2-methylanilinium bromide
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2,4-Dimethoxy-4-methylamphetamine
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4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
1-(2H-pyran-4-yl)ethanamine
CID 23344134
4-(5-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-amine
CID 68200193
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
1-(6-Methoxy-6,7-dihydronaphthalen-2-yl)propan-2-amine
CID 70917892
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine?
The IUPAC name of (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine (CID 165123596) is (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine.
What is the SMILES notation for (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine?
The canonical SMILES for (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine is C=C/C(CC(C)N)=C(\C=C/C)OC.
What is the InChIKey of (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine?
The InChIKey is BUXNHNPAKZZPFD-YLRXWAGNSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-11(13-4)10(6-2)8-9(3)12/h5-7,9H,2,8,12H2,1,3-4H3/b7-5-,11-10-.
What are the key properties of (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine?
(4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-5-methoxyocta-4,6-dien-2-amine is sourced from PubChem (CID 165123596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).