3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine

C17H28N4 — CID 79164091

IUPAC3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C17H28N4/c1-3-9-18-17-14(5-4-10-19-17)12-21-11-8-15-6-7-16(13-21)20(15)2/h4-5,10,15-16H,3,6-9,11-13H2,1-2H3,(H,18,19)
InChIKeyGCPBVAPJVFRHJG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.57
Rot. Bonds5

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

3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 79164091) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
PubChem CID79164091
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C17H28N4/c1-3-9-18-17-14(5-4-10-19-17)12-21-11-8-15-6-7-16(13-21)20(15)2/h4-5,10,15-16H,3,6-9,11-13H2,1-2H3,(H,18,19)
InChIKeyGCPBVAPJVFRHJG-UHFFFAOYSA-N
XLogP2.57
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-2-pyridinyl]hydrazine
CID 79175108
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
N-ethyl-3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63170840
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001

Frequently Asked Questions

What is the IUPAC name of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine (CID 79164091) is 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN1CCC2CCC(C1)N2C.
What is the InChIKey of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is GCPBVAPJVFRHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-9-18-17-14(5-4-10-19-17)12-21-11-8-15-6-7-16(13-21)20(15)2/h4-5,10,15-16H,3,6-9,11-13H2,1-2H3,(H,18,19).
What are the key properties of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine?
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79164091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).