1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine

C15H22N2O — CID 164926709

IUPAC1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
SMILESCc1ccc(C2CCOC2)c(CNCC2CC2)n1
InChIInChI=1S/C15H22N2O/c1-11-2-5-14(13-6-7-18-10-13)15(17-11)9-16-8-12-3-4-12/h2,5,12-13,16H,3-4,6-10H2,1H3
InChIKeyXZXJOVMRNDEKAY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine

1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine (PubChem CID 164926709) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
PubChem CID164926709
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
SMILESCc1ccc(C2CCOC2)c(CNCC2CC2)n1
InChIInChI=1S/C15H22N2O/c1-11-2-5-14(13-6-7-18-10-13)15(17-11)9-16-8-12-3-4-12/h2,5,12-13,16H,3-4,6-10H2,1H3
InChIKeyXZXJOVMRNDEKAY-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine (CID 164926709) is 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine is Cc1ccc(C2CCOC2)c(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine?
The InChIKey is XZXJOVMRNDEKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-2-5-14(13-6-7-18-10-13)15(17-11)9-16-8-12-3-4-12/h2,5,12-13,16H,3-4,6-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine?
1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 164926709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).