N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine

C24H36FNO — CID 129158751

IUPACN-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
SMILESFc1ccc(C2(CCNCC3CCCC3)CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C24H36FNO/c25-22-10-8-21(9-11-22)23(14-16-26-18-20-6-2-3-7-20)15-17-27-24(19-23)12-4-1-5-13-24/h8-11,20,26H,1-7,12-19H2
InChIKeyRSHYGMXDQNPMMZ-UHFFFAOYSA-N
MW373.56 g/mol
LogP5.75
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine

N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine (PubChem CID 129158751) has the molecular formula C24H36FNO and a molecular weight of 373.56 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
PubChem CID129158751
Molecular FormulaC24H36FNO
Molecular Weight373.56 g/mol
Exact Mass373.28
IUPAC NameN-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
SMILESFc1ccc(C2(CCNCC3CCCC3)CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C24H36FNO/c25-22-10-8-21(9-11-22)23(14-16-26-18-20-6-2-3-7-20)15-17-27-24(19-23)12-4-1-5-13-24/h8-11,20,26H,1-7,12-19H2
InChIKeyRSHYGMXDQNPMMZ-UHFFFAOYSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl({2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine
CID 68314305
N-benzyl-2-[(9S)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314306
N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
N-benzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72711950
N-benzyl-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
CID 72711952
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
1,9-Dioxaspiro[5.5]undec-4-yl{[1-(2-fluorophenyl)cyclopentyl]methyl}amine
CID 70751586
2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 2938065
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine
CID 72712151
2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2937474

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine (CID 129158751) is N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine is Fc1ccc(C2(CCNCC3CCCC3)CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine?
The InChIKey is RSHYGMXDQNPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FNO/c25-22-10-8-21(9-11-22)23(14-16-26-18-20-6-2-3-7-20)15-17-27-24(19-23)12-4-1-5-13-24/h8-11,20,26H,1-7,12-19H2.
What are the key properties of N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine?
N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine has a molecular weight of 373.56 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine is sourced from PubChem (CID 129158751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).