3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine

C11H19NO — CID 90685559

IUPAC3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
SMILESC=CC(=CC(=CC)COC)CCN
InChIInChI=1S/C11H19NO/c1-4-10(6-7-12)8-11(5-2)9-13-3/h4-5,8H,1,6-7,9,12H2,2-3H3
InChIKeyIDWIFPRNYWEURN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds6

About 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine

3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine (PubChem CID 90685559) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
PubChem CID90685559
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
SMILESC=CC(=CC(=CC)COC)CCN
InChIInChI=1S/C11H19NO/c1-4-10(6-7-12)8-11(5-2)9-13-3/h4-5,8H,1,6-7,9,12H2,2-3H3
InChIKeyIDWIFPRNYWEURN-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
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

(E)-2-ethenylidene-6-methoxyhex-4-en-1-amine
CID 19894378
2-Ethenylidene-6-methoxyhex-4-en-1-amine
CID 54337955
2-(2H-pyran-4-yl)ethanamine
CID 54557534
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
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
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
3-(Methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
CID 88985054
(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
CID 89151483
(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
CID 89208979
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
4-(Methoxymethyl)cyclohexa-2,4-dien-1-amine
CID 89594166

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine?
The IUPAC name of 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine (CID 90685559) is 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine.
What is the SMILES notation for 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine?
The canonical SMILES for 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine is C=CC(=CC(=CC)COC)CCN.
What is the InChIKey of 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine?
The InChIKey is IDWIFPRNYWEURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(6-7-12)8-11(5-2)9-13-3/h4-5,8H,1,6-7,9,12H2,2-3H3.
What are the key properties of 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine?
3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 90685559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).