(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine

C16H26FNO — CID 163239223

IUPAC(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine
SMILESCC1CC(C)C(/C=C/CCCNCC23CC2(F)C3)O1
InChIInChI=1S/C16H26FNO/c1-12-8-13(2)19-14(12)6-4-3-5-7-18-11-15-9-16(15,17)10-15/h4,6,12-14,18H,3,5,7-11H2,1-2H3/b6-4+
InChIKeyOPXSYJBCNRJCLF-GQCTYLIASA-N
MW267.39 g/mol
LogP3.23
Rot. Bonds7

About (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine

(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine (PubChem CID 163239223) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine
PubChem CID163239223
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine
SMILESCC1CC(C)C(/C=C/CCCNCC23CC2(F)C3)O1
InChIInChI=1S/C16H26FNO/c1-12-8-13(2)19-14(12)6-4-3-5-7-18-11-15-9-16(15,17)10-15/h4,6,12-14,18H,3,5,7-11H2,1-2H3/b6-4+
InChIKeyOPXSYJBCNRJCLF-GQCTYLIASA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine?
The IUPAC name of (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine (CID 163239223) is (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine.
What is the SMILES notation for (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine?
The canonical SMILES for (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine is CC1CC(C)C(/C=C/CCCNCC23CC2(F)C3)O1.
What is the InChIKey of (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine?
The InChIKey is OPXSYJBCNRJCLF-GQCTYLIASA-N. The full InChI is InChI=1S/C16H26FNO/c1-12-8-13(2)19-14(12)6-4-3-5-7-18-11-15-9-16(15,17)10-15/h4,6,12-14,18H,3,5,7-11H2,1-2H3/b6-4+.
What are the key properties of (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine?
(E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3,5-dimethyloxolan-2-yl)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 163239223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).