1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine

C16H27NS — CID 65005147

IUPAC1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
SMILESCCCC1(CCC)CC(CNC)(c2cccs2)C1
InChIInChI=1S/C16H27NS/c1-4-8-15(9-5-2)11-16(12-15,13-17-3)14-7-6-10-18-14/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3
InChIKeyCDURNYCXWSBTJE-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.59
Rot. Bonds7

About 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine

1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine (PubChem CID 65005147) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
PubChem CID65005147
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
SMILESCCCC1(CCC)CC(CNC)(c2cccs2)C1
InChIInChI=1S/C16H27NS/c1-4-8-15(9-5-2)11-16(12-15,13-17-3)14-7-6-10-18-14/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3
InChIKeyCDURNYCXWSBTJE-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine (CID 65005147) is 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine is CCCC1(CCC)CC(CNC)(c2cccs2)C1.
What is the InChIKey of 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine?
The InChIKey is CDURNYCXWSBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-8-15(9-5-2)11-16(12-15,13-17-3)14-7-6-10-18-14/h6-7,10,17H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine?
1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 65005147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).