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

C14H21N3 — CID 114412468

IUPACN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC=CCC2)c1
InChIInChI=1S/C14H21N3/c1-2-7-15-12-13-6-8-16-14(11-13)17-9-4-3-5-10-17/h3-4,6,8,11,15H,2,5,7,9-10,12H2,1H3
InChIKeyVUPMFISNSDVTTL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.35
Rot. Bonds5

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

N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114412468) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114412468
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC=CCC2)c1
InChIInChI=1S/C14H21N3/c1-2-7-15-12-13-6-8-16-14(11-13)17-9-4-3-5-10-17/h3-4,6,8,11,15H,2,5,7,9-10,12H2,1H3
InChIKeyVUPMFISNSDVTTL-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.35
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'}

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Related Compounds

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
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)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 114412480
N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 82694623
N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114460738
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 114412468) is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CC=CCC2)c1.
What is the InChIKey of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is VUPMFISNSDVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-7-15-12-13-6-8-16-14(11-13)17-9-4-3-5-10-17/h3-4,6,8,11,15H,2,5,7,9-10,12H2,1H3.
What are the key properties of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.35, 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)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114412468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).