N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 105072821

IUPACN-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1CCCCCCC1
InChIInChI=1S/C17H29N3/c1-15(2)12-19-13-16-8-9-18-14-17(16)20-10-6-4-3-5-7-11-20/h8-9,14-15,19H,3-7,10-13H2,1-2H3
InChIKeyFRJVGFNNZIQAHW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds5

About N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105072821) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105072821
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1CCCCCCC1
InChIInChI=1S/C17H29N3/c1-15(2)12-19-13-16-8-9-18-14-17(16)20-10-6-4-3-5-7-11-20/h8-9,14-15,19H,3-7,10-13H2,1-2H3
InChIKeyFRJVGFNNZIQAHW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105072821) is N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccncc1N1CCCCCCC1.
What is the InChIKey of N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FRJVGFNNZIQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)12-19-13-16-8-9-18-14-17(16)20-10-6-4-3-5-7-11-20/h8-9,14-15,19H,3-7,10-13H2,1-2H3.
What are the key properties of N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105072821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).