[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine

C14H23N3O — CID 79170746

IUPAC[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
SMILESCN1C2CCC1CN(Cc1ccoc1CN)CC2
InChIInChI=1S/C14H23N3O/c1-16-12-2-3-13(16)10-17(6-4-12)9-11-5-7-18-14(11)8-15/h5,7,12-13H,2-4,6,8-10,15H2,1H3
InChIKeyVPOVPAUZROFZLM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds3

About [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine

[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine (PubChem CID 79170746) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
PubChem CID79170746
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
SMILESCN1C2CCC1CN(Cc1ccoc1CN)CC2
InChIInChI=1S/C14H23N3O/c1-16-12-2-3-13(16)10-17(6-4-12)9-11-5-7-18-14(11)8-15/h5,7,12-13H,2-4,6,8-10,15H2,1H3
InChIKeyVPOVPAUZROFZLM-UHFFFAOYSA-N
XLogP1.41
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine with MolForge

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Related Compounds

[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 55158772
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-2-pyridinyl]hydrazine
CID 79175108
2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
CID 105347939
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
2-fluoro-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzoic acid
CID 107119530

Frequently Asked Questions

What is the IUPAC name of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine (CID 79170746) is [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine is CN1C2CCC1CN(Cc1ccoc1CN)CC2.
What is the InChIKey of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The InChIKey is VPOVPAUZROFZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-12-2-3-13(16)10-17(6-4-12)9-11-5-7-18-14(11)8-15/h5,7,12-13H,2-4,6,8-10,15H2,1H3.
What are the key properties of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.41, 3 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]furan-2-yl]methanamine is sourced from PubChem (CID 79170746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).