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

C15H24ClN3O — CID 82754331

IUPAC6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCN(c1ccc(Cl)c(CNC(C)(C)C)n1)C1CCOC1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)17-9-13-12(16)5-6-14(18-13)19(4)11-7-8-20-10-11/h5-6,11,17H,7-10H2,1-4H3
InChIKeyLSHGCCPKATUCTL-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds4

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

6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 82754331) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID82754331
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCN(c1ccc(Cl)c(CNC(C)(C)C)n1)C1CCOC1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)17-9-13-12(16)5-6-14(18-13)19(4)11-7-8-20-10-11/h5-6,11,17H,7-10H2,1-4H3
InChIKeyLSHGCCPKATUCTL-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
6-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62283149
6-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 82754698
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
CID 62284232
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288590
5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753672
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
CID 82754061
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699864
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
5-chloro-N-cyclohexyl-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285473
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 62282950

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine (CID 82754331) is 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine is CN(c1ccc(Cl)c(CNC(C)(C)C)n1)C1CCOC1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is LSHGCCPKATUCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,3)17-9-13-12(16)5-6-14(18-13)19(4)11-7-8-20-10-11/h5-6,11,17H,7-10H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine?
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 82754331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).