1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C16H27N3 — CID 43181939

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3/c1-10(15-8-13-5-6-14(15)7-13)17-9-16-11(2)18-19(4)12(16)3/h10,13-15,17H,5-9H2,1-4H3
InChIKeyKLXOBXRAXZUQRD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.95
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43181939) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID43181939
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3/c1-10(15-8-13-5-6-14(15)7-13)17-9-16-11(2)18-19(4)12(16)3/h10,13-15,17H,5-9H2,1-4H3
InChIKeyKLXOBXRAXZUQRD-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 43181939) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is KLXOBXRAXZUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-10(15-8-13-5-6-14(15)7-13)17-9-16-11(2)18-19(4)12(16)3/h10,13-15,17H,5-9H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43181939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).