N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H25N3S — CID 120836604

IUPACN-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCc1csc(CN(C)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H25N3S/c1-3-4-13-10-19-15(17-13)9-18(2)14-7-11-5-6-12(8-14)16-11/h10-12,14,16H,3-9H2,1-2H3
InChIKeyCIKUNTVTFWCKRY-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 120836604) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID120836604
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCc1csc(CN(C)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H25N3S/c1-3-4-13-10-19-15(17-13)9-18(2)14-7-11-5-6-12(8-14)16-11/h10-12,14,16H,3-9H2,1-2H3
InChIKeyCIKUNTVTFWCKRY-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836453
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233181
N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836574
N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836468
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 120836604) is N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCCc1csc(CN(C)C2CC3CCC(C2)N3)n1.
What is the InChIKey of N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CIKUNTVTFWCKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-4-13-10-19-15(17-13)9-18(2)14-7-11-5-6-12(8-14)16-11/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 120836604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).