N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C13H20Cl2N2S — CID 120836453

IUPACN-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1cc(Cl)cs1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H19ClN2S.ClH/c1-16(7-13-4-9(14)8-17-13)12-5-10-2-3-11(6-12)15-10;/h4,8,10-12,15H,2-3,5-7H2,1H3;1H
InChIKeyNZURAGZHUPKHKZ-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.54
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836453) has the molecular formula C13H20Cl2N2S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836453
Molecular FormulaC13H20Cl2N2S
Molecular Weight307.29 g/mol
Exact Mass306.07
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1cc(Cl)cs1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H19ClN2S.ClH/c1-16(7-13-4-9(14)8-17-13)12-5-10-2-3-11(6-12)15-10;/h4,8,10-12,15H,2-3,5-7H2,1H3;1H
InChIKeyNZURAGZHUPKHKZ-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836597
N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836468
N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836604
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 61232593
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120894149
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443256
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
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-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836456

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836453) is N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CN(Cc1cc(Cl)cs1)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is NZURAGZHUPKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S.ClH/c1-16(7-13-4-9(14)8-17-13)12-5-10-2-3-11(6-12)15-10;/h4,8,10-12,15H,2-3,5-7H2,1H3;1H.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 307.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).