N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

C17H29N3 — CID 81248493

IUPACN-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CCCCCCC1
InChIInChI=1S/C17H29N3/c1-3-9-18-13-16-14-19-15(2)12-17(16)20-10-7-5-4-6-8-11-20/h12,14,18H,3-11,13H2,1-2H3
InChIKeyDLJCFUYKKUZODD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.66
Rot. Bonds5

About N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81248493) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81248493
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CCCCCCC1
InChIInChI=1S/C17H29N3/c1-3-9-18-13-16-14-19-15(2)12-17(16)20-10-7-5-4-6-8-11-20/h12,14,18H,3-11,13H2,1-2H3
InChIKeyDLJCFUYKKUZODD-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81250058
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
CID 81254307
N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247380
N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81249357
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502997
N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247735
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81248099
N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81246490
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81248493) is N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1N1CCCCCCC1.
What is the InChIKey of N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is DLJCFUYKKUZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-9-18-13-16-14-19-15(2)12-17(16)20-10-7-5-4-6-8-11-20/h12,14,18H,3-11,13H2,1-2H3.
What are the key properties of N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81248493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).