2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine

C17H29N3 — CID 103182180

IUPAC2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCC(N(C)Cc2ncc(C)c(N)c2C)CC1
InChIInChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)20(4)11-16-13(3)17(18)12(2)10-19-16/h10,14-15H,5-9,11H2,1-4H3,(H2,18,19)
InChIKeyYZXHZIAUTBNLIL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.68
Rot. Bonds4

About 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine

2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182180) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182180
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCC(N(C)Cc2ncc(C)c(N)c2C)CC1
InChIInChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)20(4)11-16-13(3)17(18)12(2)10-19-16/h10,14-15H,5-9,11H2,1-4H3,(H2,18,19)
InChIKeyYZXHZIAUTBNLIL-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine (CID 103182180) is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine is CCC1CCC(N(C)Cc2ncc(C)c(N)c2C)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is YZXHZIAUTBNLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)20(4)11-16-13(3)17(18)12(2)10-19-16/h10,14-15H,5-9,11H2,1-4H3,(H2,18,19).
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).