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

C29H37FN2O2 — CID 146394773

IUPAC1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine
SMILESFCCO[C@H]1CCC(/C=N/CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c2ccccc21
InChIInChI=1S/C29H37FN2O2/c30-16-20-33-26-11-10-23(24-7-1-2-8-25(24)26)21-31-18-14-28(27-9-3-6-17-32-27)15-19-34-29(22-28)12-4-5-13-29/h1-3,6-9,17,21,23,26H,4-5,10-16,18-20,22H2/b31-21+/t23?,26-,28+/m0/s1
InChIKeyKMCJIWNODBOMST-UMHAZKIASA-N
MW464.63 g/mol
LogP6.51
Rot. Bonds8

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

1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine (PubChem CID 146394773) has the molecular formula C29H37FN2O2 and a molecular weight of 464.63 g/mol. Its IUPAC name is 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine
PubChem CID146394773
Molecular FormulaC29H37FN2O2
Molecular Weight464.63 g/mol
Exact Mass464.28
IUPAC Name1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine
SMILESFCCO[C@H]1CCC(/C=N/CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c2ccccc21
InChIInChI=1S/C29H37FN2O2/c30-16-20-33-26-11-10-23(24-7-1-2-8-25(24)26)21-31-18-14-28(27-9-3-6-17-32-27)15-19-34-29(22-28)12-4-5-13-29/h1-3,6-9,17,21,23,26H,4-5,10-16,18-20,22H2/b31-21+/t23?,26-,28+/m0/s1
InChIKeyKMCJIWNODBOMST-UMHAZKIASA-N
XLogP6.51
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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Related Compounds

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CID 162400550
CID 162400550
CID 129049904
CID 129049904
CID 11662403
CID 11662403
CID 11947812
CID 11947812
CID 11947813
CID 11947813
CID 11947814
CID 11947814
CID 11948238
CID 11948238
CID 58383725
CID 58383725
CID 59649727
CID 59649727

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine?
The IUPAC name of 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine (CID 146394773) is 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine.
What is the SMILES notation for 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine?
The canonical SMILES for 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine is FCCO[C@H]1CCC(/C=N/CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c2ccccc21.
What is the InChIKey of 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine?
The InChIKey is KMCJIWNODBOMST-UMHAZKIASA-N. The full InChI is InChI=1S/C29H37FN2O2/c30-16-20-33-26-11-10-23(24-7-1-2-8-25(24)26)21-31-18-14-28(27-9-3-6-17-32-27)15-19-34-29(22-28)12-4-5-13-29/h1-3,6-9,17,21,23,26H,4-5,10-16,18-20,22H2/b31-21+/t23?,26-,28+/m0/s1.
What are the key properties of 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine?
1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine has a molecular weight of 464.63 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]methanimine is sourced from PubChem (CID 146394773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).