2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine

C13H22N4 — CID 71568647

IUPAC2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine
SMILESCN(C)c1ccnc(N[C@@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C13H22N4/c1-17(2)10-7-8-15-13(9-10)16-12-6-4-3-5-11(12)14/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyGNYOSLAJIGOXPP-VXGBXAGGSA-N
MW234.35 g/mol
LogP1.83
Rot. Bonds3

About 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine

2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine (PubChem CID 71568647) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine
PubChem CID71568647
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine
SMILESCN(C)c1ccnc(N[C@@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C13H22N4/c1-17(2)10-7-8-15-13(9-10)16-12-6-4-3-5-11(12)14/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyGNYOSLAJIGOXPP-VXGBXAGGSA-N
XLogP1.83
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The IUPAC name of 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine (CID 71568647) is 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine is CN(C)c1ccnc(N[C@@H]2CCCC[C@H]2N)c1.
What is the InChIKey of 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
The InChIKey is GNYOSLAJIGOXPP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22N4/c1-17(2)10-7-8-15-13(9-10)16-12-6-4-3-5-11(12)14/h7-9,11-12H,3-6,14H2,1-2H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine?
2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 71568647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).