3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine

C25H48FN — CID 156741354

IUPAC3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine
SMILESC=C(C)C(CCC)CC(CCCC1CC(C)(F)C1)CCN(CCC)CCC
InChIInChI=1S/C25H48FN/c1-7-11-24(21(4)5)18-22(14-17-27(15-8-2)16-9-3)12-10-13-23-19-25(6,26)20-23/h22-24H,4,7-20H2,1-3,5-6H3
InChIKeyWNNZLTKKQNJHJM-UHFFFAOYSA-N
MW381.66 g/mol
LogP7.81
Rot. Bonds16

About 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine

3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine (PubChem CID 156741354) has the molecular formula C25H48FN and a molecular weight of 381.66 g/mol. Its IUPAC name is 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine.

Molecular Properties

Compound Name3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine
PubChem CID156741354
Molecular FormulaC25H48FN
Molecular Weight381.66 g/mol
Exact Mass381.38
IUPAC Name3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine
SMILESC=C(C)C(CCC)CC(CCCC1CC(C)(F)C1)CCN(CCC)CCC
InChIInChI=1S/C25H48FN/c1-7-11-24(21(4)5)18-22(14-17-27(15-8-2)16-9-3)12-10-13-23-19-25(6,26)20-23/h22-24H,4,7-20H2,1-3,5-6H3
InChIKeyWNNZLTKKQNJHJM-UHFFFAOYSA-N
XLogP7.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine?
The IUPAC name of 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine (CID 156741354) is 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine.
What is the SMILES notation for 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine?
The canonical SMILES for 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine is C=C(C)C(CCC)CC(CCCC1CC(C)(F)C1)CCN(CCC)CCC.
What is the InChIKey of 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine?
The InChIKey is WNNZLTKKQNJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48FN/c1-7-11-24(21(4)5)18-22(14-17-27(15-8-2)16-9-3)12-10-13-23-19-25(6,26)20-23/h22-24H,4,7-20H2,1-3,5-6H3.
What are the key properties of 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine?
3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine has a molecular weight of 381.66 g/mol, XLogP of 7.81, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-3-methylcyclobutyl)propyl]-5-prop-1-en-2-yl-N,N-dipropyloctan-1-amine is sourced from PubChem (CID 156741354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).