1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H20Cl2N2O — CID 79912066

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ncc(Cl)cc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20Cl2N2O/c1-18-13(14-12(17)7-11(16)9-19-14)10-3-6-20-15(8-10)4-2-5-15/h7,9-10,13,18H,2-6,8H2,1H3
InChIKeyCTPVHTPKJMLCRV-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.00
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79912066) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79912066
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ncc(Cl)cc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20Cl2N2O/c1-18-13(14-12(17)7-11(16)9-19-14)10-3-6-20-15(8-10)4-2-5-15/h7,9-10,13,18H,2-6,8H2,1H3
InChIKeyCTPVHTPKJMLCRV-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine 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

[(3,5-dichloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248860
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010358
N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911590
1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914897
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105166211
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016652
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79912066) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(c1ncc(Cl)cc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is CTPVHTPKJMLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-18-13(14-12(17)7-11(16)9-19-14)10-3-6-20-15(8-10)4-2-5-15/h7,9-10,13,18H,2-6,8H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 315.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79912066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).