2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

C15H27N5 — CID 103569678

IUPAC2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H27N5/c1-3-20-10-12(9-17-20)15(8-16)19-7-6-13-4-5-14(11-19)18(13)2/h9-10,13-15H,3-8,11,16H2,1-2H3
InChIKeyVPILKOFQAGRJIB-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.07
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (PubChem CID 103569678) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
PubChem CID103569678
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H27N5/c1-3-20-10-12(9-17-20)15(8-16)19-7-6-13-4-5-14(11-19)18(13)2/h9-10,13-15H,3-8,11,16H2,1-2H3
InChIKeyVPILKOFQAGRJIB-UHFFFAOYSA-N
XLogP1.07
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (CID 103569678) is 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is CCn1cc(C(CN)N2CCC3CCC(C2)N3C)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The InChIKey is VPILKOFQAGRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-20-10-12(9-17-20)15(8-16)19-7-6-13-4-5-14(11-19)18(13)2/h9-10,13-15H,3-8,11,16H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is sourced from PubChem (CID 103569678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).