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

C16H25N3 — CID 114412625

IUPAC2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2ccc(CNC(C)(C)C)cn2)CC1
InChIInChI=1S/C16H25N3/c1-13-7-9-19(10-8-13)15-6-5-14(11-17-15)12-18-16(2,3)4/h5-7,11,18H,8-10,12H2,1-4H3
InChIKeyBVGSBAVAFBDLHD-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.13
Rot. Bonds3

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

2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114412625) 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)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID114412625
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2ccc(CNC(C)(C)C)cn2)CC1
InChIInChI=1S/C16H25N3/c1-13-7-9-19(10-8-13)15-6-5-14(11-17-15)12-18-16(2,3)4/h5-7,11,18H,8-10,12H2,1-4H3
InChIKeyBVGSBAVAFBDLHD-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114412745
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 80632237
N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412750
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
CID 80636122
[2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412685
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine
CID 115774295
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927246
[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 114412400
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile
CID 80636199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 114412625) is 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC1=CCN(c2ccc(CNC(C)(C)C)cn2)CC1.
What is the InChIKey of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BVGSBAVAFBDLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-7-9-19(10-8-13)15-6-5-14(11-17-15)12-18-16(2,3)4/h5-7,11,18H,8-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-(4-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 3.13, 3 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)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114412625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).