N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C16H25N3 — CID 106316559

IUPACN-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCCN(c2ccc(CNC(C)C)c(C)n2)C1
InChIInChI=1S/C16H25N3/c1-12(2)17-10-15-7-8-16(18-14(15)4)19-9-5-6-13(3)11-19/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyZBLZEOFDBIHKRC-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.04
Rot. Bonds4

About N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 106316559) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID106316559
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCCN(c2ccc(CNC(C)C)c(C)n2)C1
InChIInChI=1S/C16H25N3/c1-12(2)17-10-15-7-8-16(18-14(15)4)19-9-5-6-13(3)11-19/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyZBLZEOFDBIHKRC-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
N-[[2-methyl-6-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 83045595
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79884994
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 114412480
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
CID 114172403
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
[2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412685
N-[(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]propan-2-amine
CID 82452377

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 106316559) is N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC1=CCCN(c2ccc(CNC(C)C)c(C)n2)C1.
What is the InChIKey of N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZBLZEOFDBIHKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)17-10-15-7-8-16(18-14(15)4)19-9-5-6-13(3)11-19/h6-8,12,17H,5,9-11H2,1-4H3.
What are the key properties of N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106316559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).