2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine

C15H25N3 — CID 83266005

IUPAC2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(N)c(C)cn2)CC1
InChIInChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)18(3)15-9-14(16)11(2)10-17-15/h9-10,12-13H,4-8H2,1-3H3,(H2,16,17)
InChIKeyFYMLEJFABPTYSK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.38
Rot. Bonds3

About 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine

2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine (PubChem CID 83266005) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine
PubChem CID83266005
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(N)c(C)cn2)CC1
InChIInChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)18(3)15-9-14(16)11(2)10-17-15/h9-10,12-13H,4-8H2,1-3H3,(H2,16,17)
InChIKeyFYMLEJFABPTYSK-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine (CID 83266005) is 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine is CCC1CCC(N(C)c2cc(N)c(C)cn2)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine?
The InChIKey is FYMLEJFABPTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)18(3)15-9-14(16)11(2)10-17-15/h9-10,12-13H,4-8H2,1-3H3,(H2,16,17).
What are the key properties of 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine?
2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 83266005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).