N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine

C14H26FNO — CID 144808749

IUPACN-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
SMILESC/C=C(OCCN(CC)CCC)\C(F)=C/CC
InChIInChI=1S/C14H26FNO/c1-5-9-13(15)14(7-3)17-12-11-16(8-4)10-6-2/h7,9H,5-6,8,10-12H2,1-4H3/b13-9+,14-7+
InChIKeyHEXOOSIJSUQYEL-BTLVJFLNSA-N
MW243.37 g/mol
LogP3.90
Rot. Bonds9

About N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine

N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine (PubChem CID 144808749) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
PubChem CID144808749
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
SMILESC/C=C(OCCN(CC)CCC)\C(F)=C/CC
InChIInChI=1S/C14H26FNO/c1-5-9-13(15)14(7-3)17-12-11-16(8-4)10-6-2/h7,9H,5-6,8,10-12H2,1-4H3/b13-9+,14-7+
InChIKeyHEXOOSIJSUQYEL-BTLVJFLNSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[(3E,8E)-7,10-difluorodeca-3,5,8-trien-4-yl]oxy-N-methyl-N-propylpropan-1-amine
CID 139566255
N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]-3-methylbutan-1-amine
CID 156370004
3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 173195907
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
N,N-dimethyl-2-[(4Z)-2,6,7-trimethylocta-2,4,6-trien-3-yl]oxyethanamine
CID 169980457
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 173000729
N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
CID 173069798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine (CID 144808749) is N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine is C/C=C(OCCN(CC)CCC)\C(F)=C/CC.
What is the InChIKey of N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine?
The InChIKey is HEXOOSIJSUQYEL-BTLVJFLNSA-N. The full InChI is InChI=1S/C14H26FNO/c1-5-9-13(15)14(7-3)17-12-11-16(8-4)10-6-2/h7,9H,5-6,8,10-12H2,1-4H3/b13-9+,14-7+.
What are the key properties of N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine?
N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine is sourced from PubChem (CID 144808749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).