(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine

C10H17F2N — CID 143279772

IUPAC(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C(\F)C(C)F)CNC
InChIInChI=1S/C10H17F2N/c1-4-9(7-13-3)5-6-10(12)8(2)11/h5-6,8,13H,4,7H2,1-3H3/b9-5+,10-6+
InChIKeyVWGSOLAYGXQYDB-NXZHAISVSA-N
MW189.25 g/mol
LogP2.75
Rot. Bonds5

About (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine

(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine (PubChem CID 143279772) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine
PubChem CID143279772
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C(\F)C(C)F)CNC
InChIInChI=1S/C10H17F2N/c1-4-9(7-13-3)5-6-10(12)8(2)11/h5-6,8,13H,4,7H2,1-3H3/b9-5+,10-6+
InChIKeyVWGSOLAYGXQYDB-NXZHAISVSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 126710477
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine (CID 143279772) is (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine is CC/C(=C\C=C(\F)C(C)F)CNC.
What is the InChIKey of (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine?
The InChIKey is VWGSOLAYGXQYDB-NXZHAISVSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-9(7-13-3)5-6-10(12)8(2)11/h5-6,8,13H,4,7H2,1-3H3/b9-5+,10-6+.
What are the key properties of (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine?
(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 143279772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).