2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C17H27NS — CID 55196043

IUPAC2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cccs2)CC2CCC1C2
InChIInChI=1S/C17H27NS/c1-13(2)11-18-12-17(10-16-4-3-7-19-16)9-14-5-6-15(17)8-14/h3-4,7,13-15,18H,5-6,8-12H2,1-2H3
InChIKeyWANRDVJCNSPYTG-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.34
Rot. Bonds6

About 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 55196043) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID55196043
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cccs2)CC2CCC1C2
InChIInChI=1S/C17H27NS/c1-13(2)11-18-12-17(10-16-4-3-7-19-16)9-14-5-6-15(17)8-14/h3-4,7,13-15,18H,5-6,8-12H2,1-2H3
InChIKeyWANRDVJCNSPYTG-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 55196043) is 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CC(C)CNCC1(Cc2cccs2)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is WANRDVJCNSPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13(2)11-18-12-17(10-16-4-3-7-19-16)9-14-5-6-15(17)8-14/h3-4,7,13-15,18H,5-6,8-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(thiophen-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 55196043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).