N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

C22H34N2O — CID 72712592

IUPACN-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESc1ccc([C@]2(CCNCC3CCCC3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C22H34N2O/c1-2-8-19(7-1)17-23-15-12-21(20-9-3-6-14-24-20)13-16-25-22(18-21)10-4-5-11-22/h3,6,9,14,19,23H,1-2,4-5,7-8,10-13,15-18H2/t21-/m1/s1
InChIKeyBXNSOLGZCCPCHT-OAQYLSRUSA-N
MW342.53 g/mol
LogP4.61
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 72712592) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID72712592
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC NameN-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESc1ccc([C@]2(CCNCC3CCCC3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C22H34N2O/c1-2-8-19(7-1)17-23-15-12-21(20-9-3-6-14-24-20)13-16-25-22(18-21)10-4-5-11-22/h3,6,9,14,19,23H,1-2,4-5,7-8,10-13,15-18H2/t21-/m1/s1
InChIKeyBXNSOLGZCCPCHT-OAQYLSRUSA-N
XLogP4.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 72712592) is N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is c1ccc([C@]2(CCNCC3CCCC3)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is BXNSOLGZCCPCHT-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34N2O/c1-2-8-19(7-1)17-23-15-12-21(20-9-3-6-14-24-20)13-16-25-22(18-21)10-4-5-11-22/h3,6,9,14,19,23H,1-2,4-5,7-8,10-13,15-18H2/t21-/m1/s1.
What are the key properties of N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 342.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 72712592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).