1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H28N2S — CID 81300272

IUPAC1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(C(C)NCC2(N(C)C)CCCC2)c(C)s1
InChIInChI=1S/C16H28N2S/c1-12-10-15(14(3)19-12)13(2)17-11-16(18(4)5)8-6-7-9-16/h10,13,17H,6-9,11H2,1-5H3
InChIKeyFTHRFCFVIGIAQI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.89
Rot. Bonds5

About 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 81300272) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID81300272
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(C(C)NCC2(N(C)C)CCCC2)c(C)s1
InChIInChI=1S/C16H28N2S/c1-12-10-15(14(3)19-12)13(2)17-11-16(18(4)5)8-6-7-9-16/h10,13,17H,6-9,11H2,1-5H3
InChIKeyFTHRFCFVIGIAQI-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 113348990
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097419
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 54898113
1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83116978
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583978

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 81300272) is 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is Cc1cc(C(C)NCC2(N(C)C)CCCC2)c(C)s1.
What is the InChIKey of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is FTHRFCFVIGIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-10-15(14(3)19-12)13(2)17-11-16(18(4)5)8-6-7-9-16/h10,13,17H,6-9,11H2,1-5H3.
What are the key properties of 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81300272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).