N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine

C17H27N3O — CID 79836731

IUPACN-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine
SMILESCC1(C)CCCCC1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N3O/c1-17(2)8-4-3-5-15(17)19-14-6-7-16(18-13-14)20-9-11-21-12-10-20/h6-7,13,15,19H,3-5,8-12H2,1-2H3
InChIKeyLFDMWVYPNYHZCL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine

N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine (PubChem CID 79836731) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine
PubChem CID79836731
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine
SMILESCC1(C)CCCCC1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N3O/c1-17(2)8-4-3-5-15(17)19-14-6-7-16(18-13-14)20-9-11-21-12-10-20/h6-7,13,15,19H,3-5,8-12H2,1-2H3
InChIKeyLFDMWVYPNYHZCL-UHFFFAOYSA-N
XLogP3.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine (CID 79836731) is N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine is CC1(C)CCCCC1Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is LFDMWVYPNYHZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2)8-4-3-5-15(17)19-14-6-7-16(18-13-14)20-9-11-21-12-10-20/h6-7,13,15,19H,3-5,8-12H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine?
N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 79836731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).