(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine

C10H18FN — CID 170709241

IUPAC(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine
SMILESC/C=C(\C=C(\F)CC)CNCC
InChIInChI=1S/C10H18FN/c1-4-9(8-12-6-3)7-10(11)5-2/h4,7,12H,5-6,8H2,1-3H3/b9-4+,10-7+
InChIKeyPJUPCRKZMOXNFK-SXFWLWNESA-N
MW171.26 g/mol
LogP2.81
Rot. Bonds5

About (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine

(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine (PubChem CID 170709241) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine.

Molecular Properties

Compound Name(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine
PubChem CID170709241
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine
SMILESC/C=C(\C=C(\F)CC)CNCC
InChIInChI=1S/C10H18FN/c1-4-9(8-12-6-3)7-10(11)5-2/h4,7,12H,5-6,8H2,1-3H3/b9-4+,10-7+
InChIKeyPJUPCRKZMOXNFK-SXFWLWNESA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.81
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

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
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
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
(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,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
CID 89215158
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312

Frequently Asked Questions

What is the IUPAC name of (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine?
The IUPAC name of (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine (CID 170709241) is (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine.
What is the SMILES notation for (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine?
The canonical SMILES for (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine is C/C=C(\C=C(\F)CC)CNCC.
What is the InChIKey of (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine?
The InChIKey is PJUPCRKZMOXNFK-SXFWLWNESA-N. The full InChI is InChI=1S/C10H18FN/c1-4-9(8-12-6-3)7-10(11)5-2/h4,7,12H,5-6,8H2,1-3H3/b9-4+,10-7+.
What are the key properties of (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine?
(E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N-ethyl-2-ethylidene-4-fluorohex-3-en-1-amine is sourced from PubChem (CID 170709241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).