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

C15H23N3 — CID 114412480

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC=CCC2)nc1C
InChIInChI=1S/C15H23N3/c1-3-9-16-12-14-7-8-15(17-13(14)2)18-10-5-4-6-11-18/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyCBERIAVHGIEITL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.66
Rot. Bonds5

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

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 114412480) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID114412480
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC=CCC2)nc1C
InChIInChI=1S/C15H23N3/c1-3-9-16-12-14-7-8-15(17-13(14)2)18-10-5-4-6-11-18/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyCBERIAVHGIEITL-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 114412568
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
N-[[6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107459634
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412594
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79884994
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 114412543
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114412519
N-[[2-methyl-6-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 83044523
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82007221
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine (CID 114412480) is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(N2CC=CCC2)nc1C.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is CBERIAVHGIEITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-9-16-12-14-7-8-15(17-13(14)2)18-10-5-4-6-11-18/h4-5,7-8,16H,3,6,9-12H2,1-2H3.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114412480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).