3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane

C17H23N — CID 90986879

IUPAC3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane
SMILESc1ccc(C2C3CCC2CN(CC2CC2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-14(5-3-1)17-15-8-9-16(17)12-18(11-15)10-13-6-7-13/h1-5,13,15-17H,6-12H2
InChIKeyLOSIMFJUSXNKQB-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.52
Rot. Bonds3

About 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane

3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane (PubChem CID 90986879) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane
PubChem CID90986879
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane
SMILESc1ccc(C2C3CCC2CN(CC2CC2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-14(5-3-1)17-15-8-9-16(17)12-18(11-15)10-13-6-7-13/h1-5,13,15-17H,6-12H2
InChIKeyLOSIMFJUSXNKQB-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 106131728
1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine
CID 134195448
(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42423634
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
[(3R,4R)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759708
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
2-(cyclopropylmethyl)-3-phenyloxaziridine
CID 18541875
[(3aR,4S,6aS)-2-(cyclohexylmethyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 171913555

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane (CID 90986879) is 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane is c1ccc(C2C3CCC2CN(CC2CC2)C3)cc1.
What is the InChIKey of 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane?
The InChIKey is LOSIMFJUSXNKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-4-14(5-3-1)17-15-8-9-16(17)12-18(11-15)10-13-6-7-13/h1-5,13,15-17H,6-12H2.
What are the key properties of 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane?
3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane has a molecular weight of 241.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90986879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).