(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine

C17H30FNO — CID 166995960

IUPAC(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCCC1(F)CC(CNCCC/C=C/C2CCC(C)O2)C1
InChIInChI=1S/C17H30FNO/c1-3-17(18)11-15(12-17)13-19-10-6-4-5-7-16-9-8-14(2)20-16/h5,7,14-16,19H,3-4,6,8-13H2,1-2H3/b7-5+
InChIKeyGAVDFHDQYYDQEO-FNORWQNLSA-N
MW283.43 g/mol
LogP4.01
Rot. Bonds8

About (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine

(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (PubChem CID 166995960) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
PubChem CID166995960
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
SMILESCCC1(F)CC(CNCCC/C=C/C2CCC(C)O2)C1
InChIInChI=1S/C17H30FNO/c1-3-17(18)11-15(12-17)13-19-10-6-4-5-7-16-9-8-14(2)20-16/h5,7,14-16,19H,3-4,6,8-13H2,1-2H3/b7-5+
InChIKeyGAVDFHDQYYDQEO-FNORWQNLSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 54.01
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-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The IUPAC name of (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine (CID 166995960) is (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is CCC1(F)CC(CNCCC/C=C/C2CCC(C)O2)C1.
What is the InChIKey of (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
The InChIKey is GAVDFHDQYYDQEO-FNORWQNLSA-N. The full InChI is InChI=1S/C17H30FNO/c1-3-17(18)11-15(12-17)13-19-10-6-4-5-7-16-9-8-14(2)20-16/h5,7,14-16,19H,3-4,6,8-13H2,1-2H3/b7-5+.
What are the key properties of (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine?
(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine has a molecular weight of 283.43 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 166995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).