furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

C17H27N2O2+ — CID 7450813

IUPACfuran-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1ccco1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/p+1/t12-,13+,17-/m1/s1
InChIKeyIRTBVVMYGBERLO-IIYDPXPESA-O
MW291.41 g/mol
LogP1.67
Rot. Bonds5

About furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (PubChem CID 7450813) has the molecular formula C17H27N2O2+ and a molecular weight of 291.41 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
PubChem CID7450813
Molecular FormulaC17H27N2O2+
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Namefuran-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1ccco1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/p+1/t12-,13+,17-/m1/s1
InChIKeyIRTBVVMYGBERLO-IIYDPXPESA-O
XLogP1.67
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

2-(furan-2-ylmethylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450814
(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
CID 7131564
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450772
cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450825
[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium
CID 7450792
N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 129405852
2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
benzyl-dimethyl-[2-oxo-2-[[(1R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium chloride
CID 52997660
2-(4-benzylpiperazin-1-yl)-N-[(1R,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98113866
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 649359
1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (CID 7450813) is furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The InChIKey is IRTBVVMYGBERLO-IIYDPXPESA-O. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)12-6-7-13(9-12)17(16,3)19-15(20)11-18-10-14-5-4-8-21-14/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3,(H,19,20)/p+1/t12-,13+,17-/m1/s1.
What are the key properties of furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium has a molecular weight of 291.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is sourced from PubChem (CID 7450813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).