(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C26H34N2O — CID 129049930

IUPAC(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc([C@]2(CCN[C@@H]3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C26H34N2O/c1-2-10-22-21(8-1)9-7-11-23(22)27-18-15-25(24-12-3-6-17-28-24)16-19-29-26(20-25)13-4-5-14-26/h1-3,6,8,10,12,17,23,27H,4-5,7,9,11,13-16,18-20H2/t23-,25-/m1/s1
InChIKeyMFRVWXUSWGGQKM-ILBGXUMGSA-N
MW390.57 g/mol
LogP5.50
Rot. Bonds5

About (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 129049930) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID129049930
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc([C@]2(CCN[C@@H]3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C26H34N2O/c1-2-10-22-21(8-1)9-7-11-23(22)27-18-15-25(24-12-3-6-17-28-24)16-19-29-26(20-25)13-4-5-14-26/h1-3,6,8,10,12,17,23,27H,4-5,7,9,11,13-16,18-20H2/t23-,25-/m1/s1
InChIKeyMFRVWXUSWGGQKM-ILBGXUMGSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-amine
CID 154646339
N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155054118
12,12-dimethyl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-amine
CID 154646361
(1S,4S)-4-(2-fluoroethoxy)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129049965
2-[(4S)-4-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]acetonitrile
CID 135259588
ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 159957103
(4S)-4-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethylamino]-5,6-dihydro-4H-1-benzothiophen-7-one
CID 146025693
1-pentan-3-yl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-7-amine
CID 155006041
(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
CID 129049950
2,2,2-trifluoro-1-[7-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethylamino]-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-1-yl]ethanone
CID 155006039
(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
CID 156805919
(1S,4S)-4-ethoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]acetaldehyde
CID 161135348

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 129049930) is (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc([C@]2(CCN[C@@H]3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MFRVWXUSWGGQKM-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H34N2O/c1-2-10-22-21(8-1)9-7-11-23(22)27-18-15-25(24-12-3-6-17-28-24)16-19-29-26(20-25)13-4-5-14-26/h1-3,6,8,10,12,17,23,27H,4-5,7,9,11,13-16,18-20H2/t23-,25-/m1/s1.
What are the key properties of (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 390.57 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 129049930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).