(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine

C10H16FN — CID 146521727

IUPAC(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
SMILESC=C(NCC)C(/C=C(\C)F)=C/C
InChIInChI=1S/C10H16FN/c1-5-10(7-8(3)11)9(4)12-6-2/h5,7,12H,4,6H2,1-3H3/b8-7+,10-5+
InChIKeyBBVWAXSWRWPKJJ-LZIZUESTSA-N
MW169.24 g/mol
LogP2.93
Rot. Bonds4

About (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine

(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine (PubChem CID 146521727) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
PubChem CID146521727
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
SMILESC=C(NCC)C(/C=C(\C)F)=C/C
InChIInChI=1S/C10H16FN/c1-5-10(7-8(3)11)9(4)12-6-2/h5,7,12H,4,6H2,1-3H3/b8-7+,10-5+
InChIKeyBBVWAXSWRWPKJJ-LZIZUESTSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Dihydrocollidin
CID 430194
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
CID 70913563
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine?
The IUPAC name of (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine (CID 146521727) is (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine.
What is the SMILES notation for (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine?
The canonical SMILES for (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine is C=C(NCC)C(/C=C(\C)F)=C/C.
What is the InChIKey of (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine?
The InChIKey is BBVWAXSWRWPKJJ-LZIZUESTSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-10(7-8(3)11)9(4)12-6-2/h5,7,12H,4,6H2,1-3H3/b8-7+,10-5+.
What are the key properties of (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine?
(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine is sourced from PubChem (CID 146521727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).