5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine

C15H24ClN3O — CID 82754697

IUPAC5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)C2CCOC2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11(2)8-17-9-14-13(16)4-5-15(18-14)19(3)12-6-7-20-10-12/h4-5,11-12,17H,6-10H2,1-3H3
InChIKeyLMCCNWOMHICNEK-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.71
Rot. Bonds6

About 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine

5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 82754697) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID82754697
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)C2CCOC2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11(2)8-17-9-14-13(16)4-5-15(18-14)19(3)12-6-7-20-10-12/h4-5,11-12,17H,6-10H2,1-3H3
InChIKeyLMCCNWOMHICNEK-UHFFFAOYSA-N
XLogP2.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 82754331
N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754420
5-chloro-N-cyclohexyl-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285473
N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
CID 114852955
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288482
N-[[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62386003
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294383
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine (CID 82754697) is 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine is CC(C)CNCc1nc(N(C)C2CCOC2)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is LMCCNWOMHICNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)8-17-9-14-13(16)4-5-15(18-14)19(3)12-6-7-20-10-12/h4-5,11-12,17H,6-10H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine?
5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 82754697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).