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

C14H23N3S — CID 113486901

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CC2CCC(C1)N2C)c1cscn1
InChIInChI=1S/C14H23N3S/c1-10(14-8-18-9-16-14)15-7-11-5-12-3-4-13(6-11)17(12)2/h8-13,15H,3-7H2,1-2H3
InChIKeyNKHPZJKICLQACV-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.67
Rot. Bonds4

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

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 113486901) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID113486901
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CC2CCC(C1)N2C)c1cscn1
InChIInChI=1S/C14H23N3S/c1-10(14-8-18-9-16-14)15-7-11-5-12-3-4-13(6-11)17(12)2/h8-13,15H,3-7H2,1-2H3
InChIKeyNKHPZJKICLQACV-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54898751
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63831483
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 104584851

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 113486901) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCC1CC2CCC(C1)N2C)c1cscn1.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is NKHPZJKICLQACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10(14-8-18-9-16-14)15-7-11-5-12-3-4-13(6-11)17(12)2/h8-13,15H,3-7H2,1-2H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 113486901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).