N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine

C24H41N3S — CID 174667573

IUPACN,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nc(C3CCC4C(C3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C24H41N3S/c1-23(2)11-12-24(3,4)20-15-17(7-8-19(20)23)21-16-28-22(25-21)27-13-9-18(10-14-27)26(5)6/h16-20H,7-15H2,1-6H3
InChIKeyWSUMFVYMFGPRHT-UHFFFAOYSA-N
MW403.68 g/mol
LogP6.02
Rot. Bonds3

About N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine

N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (PubChem CID 174667573) has the molecular formula C24H41N3S and a molecular weight of 403.68 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
PubChem CID174667573
Molecular FormulaC24H41N3S
Molecular Weight403.68 g/mol
Exact Mass403.30
IUPAC NameN,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nc(C3CCC4C(C3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C24H41N3S/c1-23(2)11-12-24(3,4)20-15-17(7-8-19(20)23)21-16-28-22(25-21)27-13-9-18(10-14-27)26(5)6/h16-20H,7-15H2,1-6H3
InChIKeyWSUMFVYMFGPRHT-UHFFFAOYSA-N
XLogP6.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.68
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (CID 174667573) is N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine is CN(C)C1CCN(c2nc(C3CCC4C(C3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The InChIKey is WSUMFVYMFGPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3S/c1-23(2)11-12-24(3,4)20-15-17(7-8-19(20)23)21-16-28-22(25-21)27-13-9-18(10-14-27)26(5)6/h16-20H,7-15H2,1-6H3.
What are the key properties of N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine has a molecular weight of 403.68 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 174667573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).