2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C18H30N2S — CID 63522364

IUPAC2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCc1ncsc1CCC1(CNCC(C)C)CC2CCC1C2
InChIInChI=1S/C18H30N2S/c1-13(2)10-19-11-18(9-15-4-5-16(18)8-15)7-6-17-14(3)20-12-21-17/h12-13,15-16,19H,4-11H2,1-3H3
InChIKeyHRGBXEGFOUPCMO-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.44
Rot. Bonds7

About 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 63522364) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID63522364
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCc1ncsc1CCC1(CNCC(C)C)CC2CCC1C2
InChIInChI=1S/C18H30N2S/c1-13(2)10-19-11-18(9-15-4-5-16(18)8-15)7-6-17-14(3)20-12-21-17/h12-13,15-16,19H,4-11H2,1-3H3
InChIKeyHRGBXEGFOUPCMO-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 56708019
2-Methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine
CID 139497990
[4-(4-Methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine
CID 155391030
[3-(4-Methyl-1,3-thiazol-5-yl)-1-bicyclo[2.2.0]hexanyl]methanamine
CID 167081059
N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)-2-bicyclo[3.1.1]heptanyl]methanamine
CID 167081225
(2R)-N,5-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-2-propylhexan-1-amine
CID 173844093
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43761074
4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 43778912
2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 43779171
1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 43781107
2,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 55034915
2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 55035150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 63522364) is 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is Cc1ncsc1CCC1(CNCC(C)C)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is HRGBXEGFOUPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-13(2)10-19-11-18(9-15-4-5-16(18)8-15)7-6-17-14(3)20-12-21-17/h12-13,15-16,19H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 63522364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).