N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine

C16H28N2S — CID 79080928

IUPACN,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
SMILESCNC(Cc1cccs1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H28N2S/c1-17-15(13-14-9-8-12-19-14)16(18(2)3)10-6-4-5-7-11-16/h8-9,12,15,17H,4-7,10-11,13H2,1-3H3
InChIKeyFDXBAHLKCNHXBW-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.53
Rot. Bonds5

About N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine

N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine (PubChem CID 79080928) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
PubChem CID79080928
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
SMILESCNC(Cc1cccs1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H28N2S/c1-17-15(13-14-9-8-12-19-14)16(18(2)3)10-6-4-5-7-11-16/h8-9,12,15,17H,4-7,10-11,13H2,1-3H3
InChIKeyFDXBAHLKCNHXBW-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
[1-(2-methyloxolan-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105250936
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
CID 115916040
1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
N-ethyl-1-(1-morpholin-4-ylcyclopentyl)-2-thiophen-2-ylethanamine
CID 79060861
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
1-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242356

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine (CID 79080928) is N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine is CNC(Cc1cccs1)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine?
The InChIKey is FDXBAHLKCNHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-17-15(13-14-9-8-12-19-14)16(18(2)3)10-6-4-5-7-11-16/h8-9,12,15,17H,4-7,10-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine?
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine is sourced from PubChem (CID 79080928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).