3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

C15H25N3 — CID 43678524

IUPAC3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC1CCC(Nc2cnccc2N(C)C)CC1
InChIInChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)17-14-11-16-10-9-15(14)18(2)3/h9-13,17H,4-8H2,1-3H3
InChIKeyDQRCTQQMTVMVEX-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.53
Rot. Bonds4

About 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678524) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678524
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC1CCC(Nc2cnccc2N(C)C)CC1
InChIInChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)17-14-11-16-10-9-15(14)18(2)3/h9-13,17H,4-8H2,1-3H3
InChIKeyDQRCTQQMTVMVEX-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678524) is 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is CCC1CCC(Nc2cnccc2N(C)C)CC1.
What is the InChIKey of 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is DQRCTQQMTVMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12-5-7-13(8-6-12)17-14-11-16-10-9-15(14)18(2)3/h9-13,17H,4-8H2,1-3H3.
What are the key properties of 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).