(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C16H24N2O2 — CID 124798935

IUPAC(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1occc1C(=O)N1[C@H]2CC[C@H]1[C@H](N(C)C(C)C)C2
InChIInChI=1S/C16H24N2O2/c1-10(2)17(4)15-9-12-5-6-14(15)18(12)16(19)13-7-8-20-11(13)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/t12-,14-,15+/m0/s1
InChIKeyBUAJRWWRDGMIGS-AEGPPILISA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds3

About (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 124798935) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID124798935
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1occc1C(=O)N1[C@H]2CC[C@H]1[C@H](N(C)C(C)C)C2
InChIInChI=1S/C16H24N2O2/c1-10(2)17(4)15-9-12-5-6-14(15)18(12)16(19)13-7-8-20-11(13)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/t12-,14-,15+/m0/s1
InChIKeyBUAJRWWRDGMIGS-AEGPPILISA-N
XLogP2.67
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 124798935) is (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1occc1C(=O)N1[C@H]2CC[C@H]1[C@H](N(C)C(C)C)C2.
What is the InChIKey of (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is BUAJRWWRDGMIGS-AEGPPILISA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)17(4)15-9-12-5-6-14(15)18(12)16(19)13-7-8-20-11(13)3/h7-8,10,12,14-15H,5-6,9H2,1-4H3/t12-,14-,15+/m0/s1.
What are the key properties of (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[(1S,2R,4S)-2-[methyl(propan-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 124798935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).