(2E)-1-methoxyhepta-2,4-dien-2-amine

C8H15NO — CID 178080633

IUPAC(2E)-1-methoxyhepta-2,4-dien-2-amine
SMILESCCC=C/C=C(/N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h4-6H,3,7,9H2,1-2H3/b5-4?,8-6+
InChIKeyMRLSMZYMELIXJV-MJZAGPDTSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds4

About (2E)-1-methoxyhepta-2,4-dien-2-amine

(2E)-1-methoxyhepta-2,4-dien-2-amine (PubChem CID 178080633) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-1-methoxyhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-methoxyhepta-2,4-dien-2-amine
PubChem CID178080633
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-1-methoxyhepta-2,4-dien-2-amine
SMILESCCC=C/C=C(/N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h4-6H,3,7,9H2,1-2H3/b5-4?,8-6+
InChIKeyMRLSMZYMELIXJV-MJZAGPDTSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
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

[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
CID 142322439
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
(5E)-octa-3,5-diene
CID 173104147
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
propyl (Z)-3-amino-4-methoxybut-2-enoate
CID 88823275
[(1Z,3Z)-1-cyanohexa-1,3-dienyl]-methoxyazanium
CID 143189899

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methoxyhepta-2,4-dien-2-amine?
The IUPAC name of (2E)-1-methoxyhepta-2,4-dien-2-amine (CID 178080633) is (2E)-1-methoxyhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-1-methoxyhepta-2,4-dien-2-amine?
The canonical SMILES for (2E)-1-methoxyhepta-2,4-dien-2-amine is CCC=C/C=C(/N)COC.
What is the InChIKey of (2E)-1-methoxyhepta-2,4-dien-2-amine?
The InChIKey is MRLSMZYMELIXJV-MJZAGPDTSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h4-6H,3,7,9H2,1-2H3/b5-4?,8-6+.
What are the key properties of (2E)-1-methoxyhepta-2,4-dien-2-amine?
(2E)-1-methoxyhepta-2,4-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methoxyhepta-2,4-dien-2-amine is sourced from PubChem (CID 178080633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).