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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62294491
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63071669
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388147
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596915
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80637065
3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 62280428
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 63151278
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62769102
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951

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).