5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H24ClN3O — CID 62293192

IUPAC5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(N(C)CC2CCCO2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11(2)17-9-14-13(16)6-7-15(18-14)19(3)10-12-5-4-8-20-12/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyCACYSDQREUBKFN-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds6

About 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62293192) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62293192
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(N(C)CC2CCCO2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-11(2)17-9-14-13(16)6-7-15(18-14)19(3)10-12-5-4-8-20-12/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyCACYSDQREUBKFN-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63708108
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925937
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61435500
N-methyl-N-(oxan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 61432168
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62293192) is 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1nc(N(C)CC2CCCO2)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is CACYSDQREUBKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)17-9-14-13(16)6-7-15(18-14)19(3)10-12-5-4-8-20-12/h6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 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-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62293192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).