4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane

C16H25FN2 — CID 144662372

IUPAC4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESC=C/C(=C\C=C(/C)F)N1CCN(C(C)C)CC12CC2
InChIInChI=1S/C16H25FN2/c1-5-15(7-6-14(4)17)19-11-10-18(13(2)3)12-16(19)8-9-16/h5-7,13H,1,8-12H2,2-4H3/b14-6+,15-7+
InChIKeyWNQSKDTUKJHSTF-MKFXEVHTSA-N
MW264.39 g/mol
LogP3.49
Rot. Bonds4

About 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane (PubChem CID 144662372) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
PubChem CID144662372
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESC=C/C(=C\C=C(/C)F)N1CCN(C(C)C)CC12CC2
InChIInChI=1S/C16H25FN2/c1-5-15(7-6-14(4)17)19-11-10-18(13(2)3)12-16(19)8-9-16/h5-7,13H,1,8-12H2,2-4H3/b14-6+,15-7+
InChIKeyWNQSKDTUKJHSTF-MKFXEVHTSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane with MolForge

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Related Compounds

2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
CID 174194797
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
(2E,4E)-5-[(4,5-dimethyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]-6,6,6-trifluorohexa-2,4-dien-3-amine
CID 162544958
6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine
CID 123162362
ethane;2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656759
1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine
CID 167290576
5-ethenyl-4,7-dimethyl-6-[(Z)-prop-1-enyl]-4,7-diazaspiro[2.5]oct-5-ene
CID 170607542
4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine
CID 145160547
1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine
CID 158239559

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane (CID 144662372) is 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane is C=C/C(=C\C=C(/C)F)N1CCN(C(C)C)CC12CC2.
What is the InChIKey of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The InChIKey is WNQSKDTUKJHSTF-MKFXEVHTSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-15(7-6-14(4)17)19-11-10-18(13(2)3)12-16(19)8-9-16/h5-7,13H,1,8-12H2,2-4H3/b14-6+,15-7+.
What are the key properties of 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane has a molecular weight of 264.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 144662372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).