N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine

C17H23FN2 — CID 22638713

IUPACN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H23FN2/c1-11(2)5-6-19-9-12-7-14(12)16-10-20-17-4-3-13(18)8-15(16)17/h3-4,8,10-12,14,19-20H,5-7,9H2,1-2H3
InChIKeyYLOANQLJGUNYTK-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.05
Rot. Bonds6

About N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine

N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine (PubChem CID 22638713) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
PubChem CID22638713
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC NameN-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H23FN2/c1-11(2)5-6-19-9-12-7-14(12)16-10-20-17-4-3-13(18)8-15(16)17/h3-4,8,10-12,14,19-20H,5-7,9H2,1-2H3
InChIKeyYLOANQLJGUNYTK-UHFFFAOYSA-N
XLogP4.05
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine (CID 22638713) is N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine is CC(C)CCNCC1CC1c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine?
The InChIKey is YLOANQLJGUNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-11(2)5-6-19-9-12-7-14(12)16-10-20-17-4-3-13(18)8-15(16)17/h3-4,8,10-12,14,19-20H,5-7,9H2,1-2H3.
What are the key properties of N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine?
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine has a molecular weight of 274.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 22638713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).