1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine

C15H27N5 — CID 79175205

IUPAC1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(N)C(c1cnn(C)c1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H27N5/c1-11(16)15(12-8-17-18(2)9-12)20-7-6-13-4-5-14(10-20)19(13)3/h8-9,11,13-15H,4-7,10,16H2,1-3H3
InChIKeyMXDLVGKTBLEEDL-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.98
Rot. Bonds3

About 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine

1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 79175205) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID79175205
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(N)C(c1cnn(C)c1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H27N5/c1-11(16)15(12-8-17-18(2)9-12)20-7-6-13-4-5-14(10-20)19(13)3/h8-9,11,13-15H,4-7,10,16H2,1-3H3
InChIKeyMXDLVGKTBLEEDL-UHFFFAOYSA-N
XLogP0.98
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (CID 79175205) is 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine is CC(N)C(c1cnn(C)c1)N1CCC2CCC(C1)N2C.
What is the InChIKey of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is MXDLVGKTBLEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(16)15(12-8-17-18(2)9-12)20-7-6-13-4-5-14(10-20)19(13)3/h8-9,11,13-15H,4-7,10,16H2,1-3H3.
What are the key properties of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine?
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 277.42 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 79175205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).