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

C15H23N3 — CID 114412532

IUPACN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CC=CCC1
InChIInChI=1S/C15H23N3/c1-13(2)11-16-12-14-7-6-8-17-15(14)18-9-4-3-5-10-18/h3-4,6-8,13,16H,5,9-12H2,1-2H3
InChIKeyLBYNXBGZWRCCEV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.59
Rot. Bonds5

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

N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114412532) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114412532
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CC=CCC1
InChIInChI=1S/C15H23N3/c1-13(2)11-16-12-14-7-6-8-17-15(14)18-9-4-3-5-10-18/h3-4,6-8,13,16H,5,9-12H2,1-2H3
InChIKeyLBYNXBGZWRCCEV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
2-methyl-N-[[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55134819
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62890085
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62293679
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83221223
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114412532) is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccnc1N1CC=CCC1.
What is the InChIKey of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LBYNXBGZWRCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(2)11-16-12-14-7-6-8-17-15(14)18-9-4-3-5-10-18/h3-4,6-8,13,16H,5,9-12H2,1-2H3.
What are the key properties of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114412532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).