1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine

C11H17NS — CID 130488737

IUPAC1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine
SMILESCNCC1C(c2cccs2)C1(C)C
InChIInChI=1S/C11H17NS/c1-11(2)8(7-12-3)10(11)9-5-4-6-13-9/h4-6,8,10,12H,7H2,1-3H3
InChIKeyIOYCIBAWPYWCCB-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.71
Rot. Bonds3

About 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine

1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine (PubChem CID 130488737) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine
PubChem CID130488737
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine
SMILESCNCC1C(c2cccs2)C1(C)C
InChIInChI=1S/C11H17NS/c1-11(2)8(7-12-3)10(11)9-5-4-6-13-9/h4-6,8,10,12H,7H2,1-3H3
InChIKeyIOYCIBAWPYWCCB-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
CID 81414978
N,N-dimethyl-4-(methylaminomethyl)-1-thiophen-2-ylcyclohexan-1-amine
CID 146416601
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83238689
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
CID 677364
2-(2,2-difluorocyclopropyl)thiophene
CID 166607376
N,2-dimethyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417579
3-methyl-2-thiophen-2-ylazetidine
CID 66350314
(3S)-5-formyl-3-methyl-1-[2-methyl-3-(methylamino)propanoyl]-2-thiophen-2-ylpyrrolidine-3-carbonitrile
CID 154999564
2-methyl-3-thiophen-2-yloxirane-2-carboxylic acid
CID 123672356
(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one
CID 10749971

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine (CID 130488737) is 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine is CNCC1C(c2cccs2)C1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine?
The InChIKey is IOYCIBAWPYWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2)8(7-12-3)10(11)9-5-4-6-13-9/h4-6,8,10,12H,7H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine?
1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine has a molecular weight of 195.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-thiophen-2-ylcyclopropyl)-N-methylmethanamine is sourced from PubChem (CID 130488737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).