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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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).