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

C14H21N3 — CID 114412489

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC=CCC2)nc1
InChIInChI=1S/C14H21N3/c1-2-8-15-11-13-6-7-14(16-12-13)17-9-4-3-5-10-17/h3-4,6-7,12,15H,2,5,8-11H2,1H3
InChIKeyCTGBAGLAGWGQMD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.35
Rot. Bonds5

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

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 114412489) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID114412489
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC=CCC2)nc1
InChIInChI=1S/C14H21N3/c1-2-8-15-11-13-6-7-14(16-12-13)17-9-4-3-5-10-17/h3-4,6-7,12,15H,2,5,8-11H2,1H3
InChIKeyCTGBAGLAGWGQMD-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-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 114412480
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
4-methyl-1-[5-(propylaminomethyl)-2-pyridinyl]azepan-4-ol
CID 107405494
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 114412568
2-[4-[5-(propylaminomethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107223707
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 102884906
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 114412489) is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(N2CC=CCC2)nc1.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is CTGBAGLAGWGQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-8-15-11-13-6-7-14(16-12-13)17-9-4-3-5-10-17/h3-4,6-7,12,15H,2,5,8-11H2,1H3.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-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-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114412489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).