1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C17H27N3 — CID 102612777

IUPAC1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nccnc1C(C)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H27N3/c1-11-14(19-9-8-18-11)12(2)20-15-16(3,4)13-6-7-17(15,5)10-13/h8-9,12-13,15,20H,6-7,10H2,1-5H3
InChIKeyCIQAEPZXNKKOSH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.65
Rot. Bonds3

About 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 102612777) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID102612777
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nccnc1C(C)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H27N3/c1-11-14(19-9-8-18-11)12(2)20-15-16(3,4)13-6-7-17(15,5)10-13/h8-9,12-13,15,20H,6-7,10H2,1-5H3
InChIKeyCIQAEPZXNKKOSH-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 102612777) is 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1nccnc1C(C)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CIQAEPZXNKKOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-11-14(19-9-8-18-11)12(2)20-15-16(3,4)13-6-7-17(15,5)10-13/h8-9,12-13,15,20H,6-7,10H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 102612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).