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

C15H25N3 — CID 79173042

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

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

2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 79173042) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID79173042
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCCC1CCC(N(C)c2cc(C)c(N)cn2)CC1
InChIInChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)18(3)15-9-11(2)14(16)10-17-15/h9-10,12-13H,4-8,16H2,1-3H3
InChIKeyRENZUUPVACZMEE-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,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine (CID 79173042) is 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine is CCC1CCC(N(C)c2cc(C)c(N)cn2)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is RENZUUPVACZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)18(3)15-9-11(2)14(16)10-17-15/h9-10,12-13H,4-8,16H2,1-3H3.
What are the key properties of 2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine?
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-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,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 79173042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).