N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C15H23N3 — CID 114172687

IUPACN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCCN(c2cc(CNC(C)C)ccn2)C1
InChIInChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h5-7,9,12,17H,4,8,10-11H2,1-3H3
InChIKeyHTGVRODWQBAEIM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114172687) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114172687
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCCN(c2cc(CNC(C)C)ccn2)C1
InChIInChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h5-7,9,12,17H,4,8,10-11H2,1-3H3
InChIKeyHTGVRODWQBAEIM-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
CID 114172403
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 106316559
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108
1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119040414
(1S)-1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 100737963
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 114172687) is N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC1=CCCN(c2cc(CNC(C)C)ccn2)C1.
What is the InChIKey of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is HTGVRODWQBAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h5-7,9,12,17H,4,8,10-11H2,1-3H3.
What are the key properties of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114172687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).