2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine

C16H27NO2 — CID 123724222

IUPAC2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine
SMILESC=CCOC(C=C(C)C(C)CC)=C(CN)C(=C)OC
InChIInChI=1S/C16H27NO2/c1-7-9-19-16(10-13(4)12(3)8-2)15(11-17)14(5)18-6/h7,10,12H,1,5,8-9,11,17H2,2-4,6H3
InChIKeyGRVPSBCUUZAYBR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds9

About 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine

2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine (PubChem CID 123724222) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine.

Molecular Properties

Compound Name2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine
PubChem CID123724222
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine
SMILESC=CCOC(C=C(C)C(C)CC)=C(CN)C(=C)OC
InChIInChI=1S/C16H27NO2/c1-7-9-19-16(10-13(4)12(3)8-2)15(11-17)14(5)18-6/h7,10,12H,1,5,8-9,11,17H2,2-4,6H3
InChIKeyGRVPSBCUUZAYBR-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine?
The IUPAC name of 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine (CID 123724222) is 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine.
What is the SMILES notation for 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine?
The canonical SMILES for 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine is C=CCOC(C=C(C)C(C)CC)=C(CN)C(=C)OC.
What is the InChIKey of 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine?
The InChIKey is GRVPSBCUUZAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-9-19-16(10-13(4)12(3)8-2)15(11-17)14(5)18-6/h7,10,12H,1,5,8-9,11,17H2,2-4,6H3.
What are the key properties of 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine?
2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine is sourced from PubChem (CID 123724222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).