N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23Cl2N3 — CID 62891457

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1nc(Cl)ccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23Cl2N3/c1-2-7-21(10-15-14(17)5-6-16(18)20-15)13-8-11-3-4-12(9-13)19-11/h5-6,11-13,19H,2-4,7-10H2,1H3
InChIKeyYURDKMGHMGMQIJ-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.88
Rot. Bonds5

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62891457) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62891457
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1nc(Cl)ccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23Cl2N3/c1-2-7-21(10-15-14(17)5-6-16(18)20-15)13-8-11-3-4-12(9-13)19-11/h5-6,11-13,19H,2-4,7-10H2,1H3
InChIKeyYURDKMGHMGMQIJ-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
5-chloro-6-[[cyclopropyl(propyl)amino]methyl]pyridin-2-amine
CID 62891822
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-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 80607489
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64771331
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63109378
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63985516

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62891457) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1nc(Cl)ccc1Cl)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YURDKMGHMGMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3/c1-2-7-21(10-15-14(17)5-6-16(18)20-15)13-8-11-3-4-12(9-13)19-11/h5-6,11-13,19H,2-4,7-10H2,1H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 328.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62891457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).