N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine

C12H16Cl2N2O — CID 82734079

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8-11(5-6-17-8)16(2)7-10-9(13)3-4-12(14)15-10/h3-4,8,11H,5-7H2,1-2H3
InChIKeyIDLSLSAECLDDTN-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.00
Rot. Bonds3

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82734079) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82734079
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8-11(5-6-17-8)16(2)7-10-9(13)3-4-12(14)15-10/h3-4,8,11H,5-7H2,1-2H3
InChIKeyIDLSLSAECLDDTN-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 82743738
(1R,5S,6R)-N-[(3,6-dichloro-2-pyridinyl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 124856081
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 82741233
2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine
CID 104740240
N-methyl-5-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazin-2-amine
CID 103056756
N-methyl-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 82744226
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
3-chloro-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 102666326
N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 82734913
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742948
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100
[4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]phenyl]boronic acid
CID 82748282

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine (CID 82734079) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is IDLSLSAECLDDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8-11(5-6-17-8)16(2)7-10-9(13)3-4-12(14)15-10/h3-4,8,11H,5-7H2,1-2H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 275.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 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,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82734079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).