(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine

C15H26FNO — CID 144635931

IUPAC(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
SMILESC/C=C\C(=C/C=C/F)C(C)(CCN(C)CC)OC
InChIInChI=1S/C15H26FNO/c1-6-9-14(10-8-12-16)15(3,18-5)11-13-17(4)7-2/h6,8-10,12H,7,11,13H2,1-5H3/b9-6-,12-8+,14-10+
InChIKeyMMOMBZUXNCHWEA-AOLYZAOJSA-N
MW255.38 g/mol
LogP3.72
Rot. Bonds8

About (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine

(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine (PubChem CID 144635931) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
PubChem CID144635931
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
SMILESC/C=C\C(=C/C=C/F)C(C)(CCN(C)CC)OC
InChIInChI=1S/C15H26FNO/c1-6-9-14(10-8-12-16)15(3,18-5)11-13-17(4)7-2/h6,8-10,12H,7,11,13H2,1-5H3/b9-6-,12-8+,14-10+
InChIKeyMMOMBZUXNCHWEA-AOLYZAOJSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(6Z)-4-ethoxy-8-fluoro-N,N,4-trimethyl-5-methylidenenona-6,8-dien-1-amine
CID 142084753
4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
CID 144635932
(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
CID 145278538
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
CID 142861523
4-[(Z)-but-1-enyl]-3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144244304
4-ethenyl-8-methyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144244311
3-[(Z)-but-1-enyl]-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144539911
ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
CID 144662795
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]-4-methoxy-1-methylpiperidine
CID 144802236
3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144968736

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The IUPAC name of (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine (CID 144635931) is (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine.
What is the SMILES notation for (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The canonical SMILES for (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine is C/C=C\C(=C/C=C/F)C(C)(CCN(C)CC)OC.
What is the InChIKey of (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The InChIKey is MMOMBZUXNCHWEA-AOLYZAOJSA-N. The full InChI is InChI=1S/C15H26FNO/c1-6-9-14(10-8-12-16)15(3,18-5)11-13-17(4)7-2/h6,8-10,12H,7,11,13H2,1-5H3/b9-6-,12-8+,14-10+.
What are the key properties of (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine has a molecular weight of 255.38 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine is sourced from PubChem (CID 144635931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).