1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

C14H22N2O — CID 62600019

IUPAC1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C1CC1
InChIInChI=1S/C14H22N2O/c1-9-8-16-12(10(2)14(9)17-4)7-13(15-3)11-5-6-11/h8,11,13,15H,5-7H2,1-4H3
InChIKeyZCDPJYFPPWVOID-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.25
Rot. Bonds5

About 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 62600019) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
PubChem CID62600019
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C1CC1
InChIInChI=1S/C14H22N2O/c1-9-8-16-12(10(2)14(9)17-4)7-13(15-3)11-5-6-11/h8,11,13,15H,5-7H2,1-4H3
InChIKeyZCDPJYFPPWVOID-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (CID 62600019) is 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is CNC(Cc1ncc(C)c(OC)c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is ZCDPJYFPPWVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-8-16-12(10(2)14(9)17-4)7-13(15-3)11-5-6-11/h8,11,13,15H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 62600019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).