3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine

C13H22N2S — CID 115897266

IUPAC3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N(C)C)C1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-10(11-6-7-16-9-11)14-12-4-5-13(8-12)15(2)3/h6-7,9-10,12-14H,4-5,8H2,1-3H3
InChIKeyUSEZABLOCATCPA-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine

3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine (PubChem CID 115897266) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
PubChem CID115897266
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N(C)C)C1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-10(11-6-7-16-9-11)14-12-4-5-13(8-12)15(2)3/h6-7,9-10,12-14H,4-5,8H2,1-3H3
InChIKeyUSEZABLOCATCPA-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472914
2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
CID 104585287
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
2,5-dimethyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761315
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841839
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
CID 62841675
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-N-(1-cyclopropylethyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897235

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine (CID 115897266) is 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine is CC(NC1CCC(N(C)C)C1)c1ccsc1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine?
The InChIKey is USEZABLOCATCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(11-6-7-16-9-11)14-12-4-5-13(8-12)15(2)3/h6-7,9-10,12-14H,4-5,8H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine?
3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 115897266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).