1-methoxyhepta-4,6-dien-2-amine

C8H15NO — CID 123960328

IUPAC1-methoxyhepta-4,6-dien-2-amine
SMILESC=CC=CCC(N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-5,8H,1,6-7,9H2,2H3
InChIKeyROHKDYPXCDEAGS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds5

About 1-methoxyhepta-4,6-dien-2-amine

1-methoxyhepta-4,6-dien-2-amine (PubChem CID 123960328) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methoxyhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name1-methoxyhepta-4,6-dien-2-amine
PubChem CID123960328
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methoxyhepta-4,6-dien-2-amine
SMILESC=CC=CCC(N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-5,8H,1,6-7,9H2,2H3
InChIKeyROHKDYPXCDEAGS-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
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

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1-Cyclohexa-1,5-dien-1-yl-2-methoxyethanamine
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(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine
CID 89043467
(2S)-1-methoxypent-4-en-2-amine
CID 94241337
(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine
CID 129090549
(Z)-1-methoxy-3-methylidenehex-4-en-2-amine
CID 135277120
1-[(Z)-oct-5-enoxy]propan-2-amine
CID 140604749
(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
CID 142810265
(1R)-1-(4H-pyran-2-yl)propan-1-amine
CID 142883555
ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine
CID 144633616

Frequently Asked Questions

What is the IUPAC name of 1-methoxyhepta-4,6-dien-2-amine?
The IUPAC name of 1-methoxyhepta-4,6-dien-2-amine (CID 123960328) is 1-methoxyhepta-4,6-dien-2-amine.
What is the SMILES notation for 1-methoxyhepta-4,6-dien-2-amine?
The canonical SMILES for 1-methoxyhepta-4,6-dien-2-amine is C=CC=CCC(N)COC.
What is the InChIKey of 1-methoxyhepta-4,6-dien-2-amine?
The InChIKey is ROHKDYPXCDEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-5,8H,1,6-7,9H2,2H3.
What are the key properties of 1-methoxyhepta-4,6-dien-2-amine?
1-methoxyhepta-4,6-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhepta-4,6-dien-2-amine is sourced from PubChem (CID 123960328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).