5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine

C13H19BrN2O — CID 103915128

IUPAC5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCc1nc(N(C)CC2CCCCO2)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-12(14)6-7-13(15-10)16(2)9-11-5-3-4-8-17-11/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyDCHSSNAGROPCDK-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine

5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 103915128) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID103915128
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCc1nc(N(C)CC2CCCCO2)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-12(14)6-7-13(15-10)16(2)9-11-5-3-4-8-17-11/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyDCHSSNAGROPCDK-UHFFFAOYSA-N
XLogP3.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281474
N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271741
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102
3-bromo-2-methyl-6-(oxolan-2-yl)pyridine
CID 172992725
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 103915128) is 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine is Cc1nc(N(C)CC2CCCCO2)ccc1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is DCHSSNAGROPCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-12(14)6-7-13(15-10)16(2)9-11-5-3-4-8-17-11/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 103915128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).