(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine

C9H14FN — CID 144983839

IUPAC(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NCC)=C(/C)C(=C)F
InChIInChI=1S/C9H14FN/c1-5-9(11-6-2)7(3)8(4)10/h5,11H,1,4,6H2,2-3H3/b9-7+
InChIKeyCKIRIQVAYWFOAJ-VQHVLOKHSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine

(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine (PubChem CID 144983839) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine
PubChem CID144983839
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NCC)=C(/C)C(=C)F
InChIInChI=1S/C9H14FN/c1-5-9(11-6-2)7(3)8(4)10/h5,11H,1,4,6H2,2-3H3/b9-7+
InChIKeyCKIRIQVAYWFOAJ-VQHVLOKHSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
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

(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524
(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 130429585
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
3-fluoro-4-methyl-2-methylidene-1H-pyridine
CID 134432270
(3Z)-N-ethyl-4-fluorohexa-3,5-dien-3-amine
CID 139340855
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(3E)-3-fluoro-5-methyl-N-(3-methylbut-2-enyl)hexa-1,3,5-trien-2-amine
CID 142089087
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 142464980
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
(3E)-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143206128

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine (CID 144983839) is (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine is C=C/C(NCC)=C(/C)C(=C)F.
What is the InChIKey of (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The InChIKey is CKIRIQVAYWFOAJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-9(11-6-2)7(3)8(4)10/h5,11H,1,4,6H2,2-3H3/b9-7+.
What are the key properties of (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine?
(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144983839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).