(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine

C18H32FNO — CID 166995825

IUPAC(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine
SMILESCC1OC(/C=C/CCCNCCCC2(F)CC2)[C@@H](C)C1C
InChIInChI=1S/C18H32FNO/c1-14-15(2)17(21-16(14)3)8-5-4-6-12-20-13-7-9-18(19)10-11-18/h5,8,14-17,20H,4,6-7,9-13H2,1-3H3/b8-5+/t14?,15-,16?,17?/m0/s1
InChIKeyGFGPFSCJLDQLKP-OPOUTLCLSA-N
MW297.46 g/mol
LogP4.25
Rot. Bonds9

About (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine

(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine (PubChem CID 166995825) has the molecular formula C18H32FNO and a molecular weight of 297.46 g/mol. Its IUPAC name is (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine
PubChem CID166995825
Molecular FormulaC18H32FNO
Molecular Weight297.46 g/mol
Exact Mass297.25
IUPAC Name(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine
SMILESCC1OC(/C=C/CCCNCCCC2(F)CC2)[C@@H](C)C1C
InChIInChI=1S/C18H32FNO/c1-14-15(2)17(21-16(14)3)8-5-4-6-12-20-13-7-9-18(19)10-11-18/h5,8,14-17,20H,4,6-7,9-13H2,1-3H3/b8-5+/t14?,15-,16?,17?/m0/s1
InChIKeyGFGPFSCJLDQLKP-OPOUTLCLSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.25
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-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine?
The IUPAC name of (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine (CID 166995825) is (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine.
What is the SMILES notation for (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine?
The canonical SMILES for (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine is CC1OC(/C=C/CCCNCCCC2(F)CC2)[C@@H](C)C1C.
What is the InChIKey of (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine?
The InChIKey is GFGPFSCJLDQLKP-OPOUTLCLSA-N. The full InChI is InChI=1S/C18H32FNO/c1-14-15(2)17(21-16(14)3)8-5-4-6-12-20-13-7-9-18(19)10-11-18/h5,8,14-17,20H,4,6-7,9-13H2,1-3H3/b8-5+/t14?,15-,16?,17?/m0/s1.
What are the key properties of (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine?
(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine has a molecular weight of 297.46 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine is sourced from PubChem (CID 166995825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).