(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine

C10H16FN — CID 156725571

IUPAC(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C)F)CCNCC
InChIInChI=1S/C10H16FN/c1-4-10(8-9(3)11)6-7-12-5-2/h4,8,12H,1,3,5-7H2,2H3/b10-8+
InChIKeyJCNCPRJWHNGOHR-CSKARUKUSA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds6

About (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine

(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine (PubChem CID 156725571) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine
PubChem CID156725571
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C)F)CCNCC
InChIInChI=1S/C10H16FN/c1-4-10(8-9(3)11)6-7-12-5-2/h4,8,12H,1,3,5-7H2,2H3/b10-8+
InChIKeyJCNCPRJWHNGOHR-CSKARUKUSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-N-[(E)-3,5-hexadien-1-yl]amine
CID 59529047
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
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
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(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
(Z,3Z)-3-(2-fluoroethylidene)hept-4-en-1-amine
CID 89295784
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine (CID 156725571) is (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine is C=C/C(=C\C(=C)F)CCNCC.
What is the InChIKey of (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine?
The InChIKey is JCNCPRJWHNGOHR-CSKARUKUSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-10(8-9(3)11)6-7-12-5-2/h4,8,12H,1,3,5-7H2,2H3/b10-8+.
What are the key properties of (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine?
(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine is sourced from PubChem (CID 156725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).