2-N-cyclohexyl-6-methoxypyridine-2,3-diamine

C12H19N3O — CID 115320270

IUPAC2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-16-11-8-7-10(13)12(15-11)14-9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15)
InChIKeyCINOTFZHVDOJDE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds3

About 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine

2-N-cyclohexyl-6-methoxypyridine-2,3-diamine (PubChem CID 115320270) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
PubChem CID115320270
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-16-11-8-7-10(13)12(15-11)14-9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15)
InChIKeyCINOTFZHVDOJDE-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
CID 114095356
2-cyclohexyloxy-6-methoxypyridin-3-amine
CID 115321023
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
2-N-(3-ethyl-2-methylcyclopentyl)-6-methoxypyridine-2,3-diamine
CID 115320867
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845624
6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 115320849
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine (CID 115320270) is 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine?
The InChIKey is CINOTFZHVDOJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-8-7-10(13)12(15-11)14-9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine?
2-N-cyclohexyl-6-methoxypyridine-2,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).