5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine

C17H30N4 — CID 80639174

IUPAC5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine
SMILESCCNCc1cnc(N(C)C2CCN(CC)CC2)c(C)c1
InChIInChI=1S/C17H30N4/c1-5-18-12-15-11-14(3)17(19-13-15)20(4)16-7-9-21(6-2)10-8-16/h11,13,16,18H,5-10,12H2,1-4H3
InChIKeyQCADUQZUBONWJA-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.42
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine

5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine (PubChem CID 80639174) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine
PubChem CID80639174
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine
SMILESCCNCc1cnc(N(C)C2CCN(CC)CC2)c(C)c1
InChIInChI=1S/C17H30N4/c1-5-18-12-15-11-14(3)17(19-13-15)20(4)16-7-9-21(6-2)10-8-16/h11,13,16,18H,5-10,12H2,1-4H3
InChIKeyQCADUQZUBONWJA-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine (CID 80639174) is 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine is CCNCc1cnc(N(C)C2CCN(CC)CC2)c(C)c1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine?
The InChIKey is QCADUQZUBONWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-18-12-15-11-14(3)17(19-13-15)20(4)16-7-9-21(6-2)10-8-16/h11,13,16,18H,5-10,12H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine?
5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80639174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).