N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H24ClN3 — CID 62295360

IUPACN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C16H24ClN3/c1-11(2)7-18-8-13-6-15(17)16(19-9-13)20-10-12-3-4-14(20)5-12/h6,9,11-12,14,18H,3-5,7-8,10H2,1-2H3
InChIKeyOTQPJANNOGVSIN-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.47
Rot. Bonds5

About N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62295360) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62295360
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C16H24ClN3/c1-11(2)7-18-8-13-6-15(17)16(19-9-13)20-10-12-3-4-14(20)5-12/h6,9,11-12,14,18H,3-5,7-8,10H2,1-2H3
InChIKeyOTQPJANNOGVSIN-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62295360) is N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(N2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OTQPJANNOGVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-11(2)7-18-8-13-6-15(17)16(19-9-13)20-10-12-3-4-14(20)5-12/h6,9,11-12,14,18H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62295360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).