5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine

C17H29N3 — CID 80634965

IUPAC5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncc(CCN)cc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-14-5-7-16(8-6-14)20(3)17-13(2)11-15(9-10-18)12-19-17/h11-12,14,16H,4-10,18H2,1-3H3
InChIKeyZQLIOMHUGYAYSG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.30
Rot. Bonds5

About 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine

5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80634965) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine
PubChem CID80634965
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncc(CCN)cc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-14-5-7-16(8-6-14)20(3)17-13(2)11-15(9-10-18)12-19-17/h11-12,14,16H,4-10,18H2,1-3H3
InChIKeyZQLIOMHUGYAYSG-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine (CID 80634965) is 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine is CCC1CCC(N(C)c2ncc(CCN)cc2C)CC1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is ZQLIOMHUGYAYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-14-5-7-16(8-6-14)20(3)17-13(2)11-15(9-10-18)12-19-17/h11-12,14,16H,4-10,18H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine?
5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80634965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).