(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine

C9H17NO — CID 137427596

IUPAC(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C\C=C(\N)COC
InChIInChI=1S/C9H17NO/c1-4-8(2)5-6-9(10)7-11-3/h5-6H,4,7,10H2,1-3H3/b8-5-,9-6+
InChIKeyZGYCQCSRAKUKQL-LDFAFZTOSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds4

About (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine

(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine (PubChem CID 137427596) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine
PubChem CID137427596
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C\C=C(\N)COC
InChIInChI=1S/C9H17NO/c1-4-8(2)5-6-9(10)7-11-3/h5-6H,4,7,10H2,1-3H3/b8-5-,9-6+
InChIKeyZGYCQCSRAKUKQL-LDFAFZTOSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2H-pyran-3-amine
CID 70386428
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine
CID 137427649
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
CID 139378217
[(Z)-1-methoxy-4-methylidenehex-2-en-2-yl]hydrazine
CID 139419602
(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine
CID 142213470
(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
CID 142536205
ethane;(3E,5Z)-2-methoxy-5-methylhepta-1,3,5-trien-3-amine
CID 143256404
ethane;(3E)-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 143256489
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
CID 143256813

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine (CID 137427596) is (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine is CC/C(C)=C\C=C(\N)COC.
What is the InChIKey of (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine?
The InChIKey is ZGYCQCSRAKUKQL-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(2)5-6-9(10)7-11-3/h5-6H,4,7,10H2,1-3H3/b8-5-,9-6+.
What are the key properties of (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine?
(2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-methoxy-5-methylhepta-2,4-dien-2-amine is sourced from PubChem (CID 137427596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).