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

C17H27N3 — CID 114412754

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

2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 114412754) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
• PubChem CID: 114412754
• Molecular Formula: C17H27N3
• Molecular Weight: 273.42 g/mol
• Exact Mass: 273.22
• IUPAC Name: 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
• SMILES: CC1=CCN(c2cc(C)ncc2CNCC(C)C)CC1
• InChI: InChI=1S/C17H27N3/c1-13(2)10-18-11-16-12-19-15(4)9-17(16)20-7-5-14(3)6-8-20/h5,9,12-13,18H,6-8,10-11H2,1-4H3
• InChIKey: LMKLOUKBZSKIPP-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.42
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?

The IUPAC name of 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 114412754) is 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

What is the SMILES notation for 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?

The canonical SMILES for 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CC1=CCN(c2cc(C)ncc2CNCC(C)C)CC1.

What is the InChIKey of 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?

The InChIKey is LMKLOUKBZSKIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)10-18-11-16-12-19-15(4)9-17(16)20-7-5-14(3)6-8-20/h5,9,12-13,18H,6-8,10-11H2,1-4H3.

What are the key properties of 2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?

2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.29, 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-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114412754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).