1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H24N2S — CID 43223183

IUPAC1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CNC2CC3CCC2(C)C3(C)C)cs1
InChIInChI=1S/C15H24N2S/c1-10-17-12(9-18-10)8-16-13-7-11-5-6-15(13,4)14(11,2)3/h9,11,13,16H,5-8H2,1-4H3
InChIKeyNQYJDGCTBJSFHX-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.76
Rot. Bonds3

About 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 43223183) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID43223183
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CNC2CC3CCC2(C)C3(C)C)cs1
InChIInChI=1S/C15H24N2S/c1-10-17-12(9-18-10)8-16-13-7-11-5-6-15(13,4)14(11,2)3/h9,11,13,16H,5-8H2,1-4H3
InChIKeyNQYJDGCTBJSFHX-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 43223183) is 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1nc(CNC2CC3CCC2(C)C3(C)C)cs1.
What is the InChIKey of 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is NQYJDGCTBJSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10-17-12(9-18-10)8-16-13-7-11-5-6-15(13,4)14(11,2)3/h9,11,13,16H,5-8H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43223183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).