N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine

C16H26N4 — CID 79170955

IUPACN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H26N4/c1-3-17-11-13-5-4-9-18-16(13)20-10-8-14-6-7-15(12-20)19(14)2/h4-5,9,14-15,17H,3,6-8,10-12H2,1-2H3
InChIKeyOCLXVSNVOHBSJV-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds4

About N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine

N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 79170955) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID79170955
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H26N4/c1-3-17-11-13-5-4-9-18-16(13)20-10-8-14-6-7-15(12-20)19(14)2/h4-5,9,14-15,17H,3,6-8,10-12H2,1-2H3
InChIKeyOCLXVSNVOHBSJV-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79164505
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine
CID 81199266
N-[[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridazin-3-yl]methyl]ethanamine
CID 79170376
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 79164517

Frequently Asked Questions

What is the IUPAC name of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine (CID 79170955) is N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCC2CCC(C1)N2C.
What is the InChIKey of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is OCLXVSNVOHBSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-11-13-5-4-9-18-16(13)20-10-8-14-6-7-15(12-20)19(14)2/h4-5,9,14-15,17H,3,6-8,10-12H2,1-2H3.
What are the key properties of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79170955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).