N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine

C17H27ClN2S — CID 115998333

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H27ClN2S/c1-3-8-19-16(11-15-6-7-17(18)21-15)12-9-13-4-5-14(10-12)20(13)2/h6-7,12-14,16,19H,3-5,8-11H2,1-2H3
InChIKeyHFQMOMHFKCQDQA-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine (PubChem CID 115998333) has the molecular formula C17H27ClN2S and a molecular weight of 326.94 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
PubChem CID115998333
Molecular FormulaC17H27ClN2S
Molecular Weight326.94 g/mol
Exact Mass326.16
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H27ClN2S/c1-3-8-19-16(11-15-6-7-17(18)21-15)12-9-13-4-5-14(10-12)20(13)2/h6-7,12-14,16,19H,3-5,8-11H2,1-2H3
InChIKeyHFQMOMHFKCQDQA-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine (CID 115998333) is N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The InChIKey is HFQMOMHFKCQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2S/c1-3-8-19-16(11-15-6-7-17(18)21-15)12-9-13-4-5-14(10-12)20(13)2/h6-7,12-14,16,19H,3-5,8-11H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine has a molecular weight of 326.94 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115998333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).