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

C15H24FNO — CID 166996030

IUPAC(E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCC1CCC(/C=C/CCCNCC23CC2(F)C3)O1
InChIInChI=1S/C15H24FNO/c1-12-6-7-13(18-12)5-3-2-4-8-17-11-14-9-15(14,16)10-14/h3,5,12-13,17H,2,4,6-11H2,1H3/b5-3+
InChIKeyIPDJCWBRFSJHKY-HWKANZROSA-N
MW253.36 g/mol
LogP2.98
Rot. Bonds7

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

(E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (PubChem CID 166996030) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
PubChem CID166996030
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCC1CCC(/C=C/CCCNCC23CC2(F)C3)O1
InChIInChI=1S/C15H24FNO/c1-12-6-7-13(18-12)5-3-2-4-8-17-11-14-9-15(14,16)10-14/h3,5,12-13,17H,2,4,6-11H2,1H3/b5-3+
InChIKeyIPDJCWBRFSJHKY-HWKANZROSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.98
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)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The IUPAC name of (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (CID 166996030) is (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is CC1CCC(/C=C/CCCNCC23CC2(F)C3)O1.
What is the InChIKey of (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The InChIKey is IPDJCWBRFSJHKY-HWKANZROSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12-6-7-13(18-12)5-3-2-4-8-17-11-14-9-15(14,16)10-14/h3,5,12-13,17H,2,4,6-11H2,1H3/b5-3+.
What are the key properties of (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
(E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine has a molecular weight of 253.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-fluoro-1-bicyclo[1.1.0]butanyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 166996030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).