N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine

C19H24F2N2 — CID 69425325

IUPACN-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine
SMILESFc1cc(F)c2[nH]cc(CCCN(C3CCC3)C3CCC3)c2c1
InChIInChI=1S/C19H24F2N2/c20-14-10-17-13(12-22-19(17)18(21)11-14)4-3-9-23(15-5-1-6-15)16-7-2-8-16/h10-12,15-16,22H,1-9H2
InChIKeyVEDMVBCDPQCPRR-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.79
Rot. Bonds6

About N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine

N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine (PubChem CID 69425325) has the molecular formula C19H24F2N2 and a molecular weight of 318.41 g/mol. Its IUPAC name is N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine
PubChem CID69425325
Molecular FormulaC19H24F2N2
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC NameN-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine
SMILESFc1cc(F)c2[nH]cc(CCCN(C3CCC3)C3CCC3)c2c1
InChIInChI=1S/C19H24F2N2/c20-14-10-17-13(12-22-19(17)18(21)11-14)4-3-9-23(15-5-1-6-15)16-7-2-8-16/h10-12,15-16,22H,1-9H2
InChIKeyVEDMVBCDPQCPRR-UHFFFAOYSA-N
XLogP4.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine?
The IUPAC name of N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine (CID 69425325) is N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine.
What is the SMILES notation for N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine?
The canonical SMILES for N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine is Fc1cc(F)c2[nH]cc(CCCN(C3CCC3)C3CCC3)c2c1.
What is the InChIKey of N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine?
The InChIKey is VEDMVBCDPQCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2/c20-14-10-17-13(12-22-19(17)18(21)11-14)4-3-9-23(15-5-1-6-15)16-7-2-8-16/h10-12,15-16,22H,1-9H2.
What are the key properties of N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine?
N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine has a molecular weight of 318.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine is sourced from PubChem (CID 69425325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).