N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24ClN3 — CID 62470924

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cccnc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24ClN3/c1-2-8-20(11-12-4-3-7-18-16(12)17)15-9-13-5-6-14(10-15)19-13/h3-4,7,13-15,19H,2,5-6,8-11H2,1H3
InChIKeyZPISEWLZVQVPCS-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62470924) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62470924
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cccnc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24ClN3/c1-2-8-20(11-12-4-3-7-18-16(12)17)15-9-13-5-6-14(10-15)19-13/h3-4,7,13-15,19H,2,5-6,8-11H2,1H3
InChIKeyZPISEWLZVQVPCS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232143
N-[(2,4-dichlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233028
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62891457
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105372550
N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072
N-propyl-N-(2-pyridin-3-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63262796
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-[(2-chloro-3-pyridinyl)methyl]-N-ethylpropan-1-amine
CID 62470730

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62470924) is N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1cccnc1Cl)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZPISEWLZVQVPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-2-8-20(11-12-4-3-7-18-16(12)17)15-9-13-5-6-14(10-15)19-13/h3-4,7,13-15,19H,2,5-6,8-11H2,1H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 293.84 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62470924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).