2-methoxy-5-methylidenehepta-1,6-dien-3-amine

C9H15NO — CID 156745575

IUPAC2-methoxy-5-methylidenehepta-1,6-dien-3-amine
SMILESC=CC(=C)CC(N)C(=C)OC
InChIInChI=1S/C9H15NO/c1-5-7(2)6-9(10)8(3)11-4/h5,9H,1-3,6,10H2,4H3
InChIKeyRXQBKLYJBMFAGK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds5

About 2-methoxy-5-methylidenehepta-1,6-dien-3-amine

2-methoxy-5-methylidenehepta-1,6-dien-3-amine (PubChem CID 156745575) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methoxy-5-methylidenehepta-1,6-dien-3-amine.

Molecular Properties

Compound Name2-methoxy-5-methylidenehepta-1,6-dien-3-amine
PubChem CID156745575
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methoxy-5-methylidenehepta-1,6-dien-3-amine
SMILESC=CC(=C)CC(N)C(=C)OC
InChIInChI=1S/C9H15NO/c1-5-7(2)6-9(10)8(3)11-4/h5,9H,1-3,6,10H2,4H3
InChIKeyRXQBKLYJBMFAGK-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
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

4-amino-5-methoxyhex-5-en-2-one
CID 123447275
4-methylidenehex-5-en-2-ol
CID 13427514
3-ethenyl-5-methylidenehepta-1,6-diene
CID 100997926
dimethoxy(2-methylidenebut-3-enyl)borane
CID 131845841
butyl (2R)-2-hydroxy-4-methylidenehex-5-enoate
CID 165353919
methyl 2-aminopent-4-enoate
CID 10877146
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
methyl (4R)-4-amino-2,2-difluorohex-5-enoate
CID 146622287
3-methylidenepent-1-ene
CID 18850
dimethyl 3-buta-1,3-dien-2-ylpentanedioate
CID 11769793
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
(2S,5Z)-2-amino-4-methylideneocta-5,7-dienoic acid
CID 162530596

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylidenehepta-1,6-dien-3-amine?
The IUPAC name of 2-methoxy-5-methylidenehepta-1,6-dien-3-amine (CID 156745575) is 2-methoxy-5-methylidenehepta-1,6-dien-3-amine.
What is the SMILES notation for 2-methoxy-5-methylidenehepta-1,6-dien-3-amine?
The canonical SMILES for 2-methoxy-5-methylidenehepta-1,6-dien-3-amine is C=CC(=C)CC(N)C(=C)OC.
What is the InChIKey of 2-methoxy-5-methylidenehepta-1,6-dien-3-amine?
The InChIKey is RXQBKLYJBMFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(2)6-9(10)8(3)11-4/h5,9H,1-3,6,10H2,4H3.
What are the key properties of 2-methoxy-5-methylidenehepta-1,6-dien-3-amine?
2-methoxy-5-methylidenehepta-1,6-dien-3-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylidenehepta-1,6-dien-3-amine is sourced from PubChem (CID 156745575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).