1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C16H26N2S — CID 43781107

IUPAC1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ncsc1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H26N2S/c1-10-14(19-9-17-10)11(2)18-13-8-12-6-7-16(13,5)15(12,3)4/h9,11-13,18H,6-8H2,1-5H3
InChIKeyONZKBCHDEHJAGM-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.32
Rot. Bonds3

About 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 43781107) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID43781107
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ncsc1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H26N2S/c1-10-14(19-9-17-10)11(2)18-13-8-12-6-7-16(13,5)15(12,3)4/h9,11-13,18H,6-8H2,1-5H3
InChIKeyONZKBCHDEHJAGM-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.32
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-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 43781107) is 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1ncsc1C(C)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ONZKBCHDEHJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-10-14(19-9-17-10)11(2)18-13-8-12-6-7-16(13,5)15(12,3)4/h9,11-13,18H,6-8H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 4.32, 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-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43781107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).