6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C43H59N7 — CID 161043442

IUPAC6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.Nc1cccc(-c2ccc(CCN3CCC4(CCCC4)CC3)cc2)n1
InChIInChI=1S/C22H29N3.C21H30N4/c23-21-5-3-4-20(24-21)19-8-6-18(7-9-19)10-15-25-16-13-22(14-17-25)11-1-2-12-22;1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9H,1-2,10-17H2,(H2,23,24);3-9,17H,10-16H2,1-2H3,(H2,22,23)
InChIKeyUBEIYYRMBMPWFY-UHFFFAOYSA-N
MW673.99 g/mol
LogP7.68
Rot. Bonds10

About 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 161043442) has the molecular formula C43H59N7 and a molecular weight of 673.99 g/mol. Its IUPAC name is 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID161043442
Molecular FormulaC43H59N7
Molecular Weight673.99 g/mol
Exact Mass673.48
IUPAC Name6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.Nc1cccc(-c2ccc(CCN3CCC4(CCCC4)CC3)cc2)n1
InChIInChI=1S/C22H29N3.C21H30N4/c23-21-5-3-4-20(24-21)19-8-6-18(7-9-19)10-15-25-16-13-22(14-17-25)11-1-2-12-22;1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9H,1-2,10-17H2,(H2,23,24);3-9,17H,10-16H2,1-2H3,(H2,22,23)
InChIKeyUBEIYYRMBMPWFY-UHFFFAOYSA-N
XLogP7.68
TPSA87.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.99
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine with MolForge

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Related Compounds

6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
6-[4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414414
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
CID 12016074
2,4-bis[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-1,5-bis(4-chlorophenyl)pentan-3-one
CID 151062106
6-[4-(2-aminoethyl)phenyl]pyridin-2-amine
CID 11310407
8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 18414542
6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
CID 80653536
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
6-[4-[2-[4-(2-amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-fluorophenyl]pyridin-2-amine
CID 18414435
2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
CID 18414488
3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 18414455

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 161043442) is 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is CC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.Nc1cccc(-c2ccc(CCN3CCC4(CCCC4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is UBEIYYRMBMPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3.C21H30N4/c23-21-5-3-4-20(24-21)19-8-6-18(7-9-19)10-15-25-16-13-22(14-17-25)11-1-2-12-22;1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9H,1-2,10-17H2,(H2,23,24);3-9,17H,10-16H2,1-2H3,(H2,22,23).
What are the key properties of 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 673.99 g/mol, XLogP of 7.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 161043442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).