trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C23H30N4O — CID 146866098

IUPACtrans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCC5(CC4)CNC5)n3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(10-11-23)21-26-20(28-27-21)17-6-8-22(9-7-17)13-24-14-22/h1-5,17-19,24-25H,6-15H2/t18-,19+/m0/s1
InChIKeySMBUKPMSNUKYDX-RBUKOAKNSA-N
MW378.52 g/mol
LogP3.49
Rot. Bonds6

About trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 146866098) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID146866098
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Nametrans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCC5(CC4)CNC5)n3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(10-11-23)21-26-20(28-27-21)17-6-8-22(9-7-17)13-24-14-22/h1-5,17-19,24-25H,6-15H2/t18-,19+/m0/s1
InChIKeySMBUKPMSNUKYDX-RBUKOAKNSA-N
XLogP3.49
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 146866098) is trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCC5(CC4)CNC5)n3)CC2)cc1.
What is the InChIKey of trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is SMBUKPMSNUKYDX-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(10-11-23)21-26-20(28-27-21)17-6-8-22(9-7-17)13-24-14-22/h1-5,17-19,24-25H,6-15H2/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 378.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[[1-[5-(2-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 146866098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).