9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H28N4 — CID 62714531

IUPAC9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1c(C)n[nH]c1C
InChIInChI=1S/C16H28N4/c1-4-8-17-13-9-14-6-5-7-15(10-13)20(14)16-11(2)18-19-12(16)3/h13-15,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyUXKIQSCIGNNFKG-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.92
Rot. Bonds4

About 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714531) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714531
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1c(C)n[nH]c1C
InChIInChI=1S/C16H28N4/c1-4-8-17-13-9-14-6-5-7-15(10-13)20(14)16-11(2)18-19-12(16)3/h13-15,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyUXKIQSCIGNNFKG-UHFFFAOYSA-N
XLogP2.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714531) is 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2c1c(C)n[nH]c1C.
What is the InChIKey of 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UXKIQSCIGNNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-17-13-9-14-6-5-7-15(10-13)20(14)16-11(2)18-19-12(16)3/h13-15,17H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).