2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine

C16H25N3 — CID 114412629

IUPAC2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC1=CCN(c2cccc(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H25N3/c1-13(2)11-17-12-15-5-4-6-16(18-15)19-9-7-14(3)8-10-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyIPVXEYZIJMHVSJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 114412629) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID114412629
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC1=CCN(c2cccc(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H25N3/c1-13(2)11-17-12-15-5-4-6-16(18-15)19-9-7-14(3)8-10-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyIPVXEYZIJMHVSJ-UHFFFAOYSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 114412629) is 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine is CC1=CCN(c2cccc(CNCC(C)C)n2)CC1.
What is the InChIKey of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is IPVXEYZIJMHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)11-17-12-15-5-4-6-16(18-15)19-9-7-14(3)8-10-19/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114412629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).