[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine

C15H25N3O — CID 79170378

IUPAC[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2CCC3CCC(C2)N3C)oc1CN
InChIInChI=1S/C15H25N3O/c1-11-7-14(19-15(11)8-16)10-18-6-5-12-3-4-13(9-18)17(12)2/h7,12-13H,3-6,8-10,16H2,1-2H3
InChIKeyOTIHVKOYQNNLJP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.72
Rot. Bonds3

About [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine

[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine (PubChem CID 79170378) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
PubChem CID79170378
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2CCC3CCC(C2)N3C)oc1CN
InChIInChI=1S/C15H25N3O/c1-11-7-14(19-15(11)8-16)10-18-6-5-12-3-4-13(9-18)17(12)2/h7,12-13H,3-6,8-10,16H2,1-2H3
InChIKeyOTIHVKOYQNNLJP-UHFFFAOYSA-N
XLogP1.72
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-5-[(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-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
CID 81205816
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 55217384
[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 62411388
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170746
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 65286758
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 79934395
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 62436351
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
CID 63193178
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine (CID 79170378) is [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine is Cc1cc(CN2CCC3CCC(C2)N3C)oc1CN.
What is the InChIKey of [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
The InChIKey is OTIHVKOYQNNLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-7-14(19-15(11)8-16)10-18-6-5-12-3-4-13(9-18)17(12)2/h7,12-13H,3-6,8-10,16H2,1-2H3.
What are the key properties of [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine?
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 79170378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).