N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide

C13H20N2O2 — CID 115272681

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(C)CC2(CN)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-11(17-10)7-12(16)15(2)9-13(8-14)5-6-13/h3-4H,5-9,14H2,1-2H3
InChIKeyVQACFXRNSIKIRF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.33
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 115272681) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
PubChem CID115272681
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(C)CC2(CN)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-11(17-10)7-12(16)15(2)9-13(8-14)5-6-13/h3-4H,5-9,14H2,1-2H3
InChIKeyVQACFXRNSIKIRF-UHFFFAOYSA-N
XLogP1.33
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
CID 115267700
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide (CID 115272681) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(CC(=O)N(C)CC2(CN)CC2)o1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is VQACFXRNSIKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-4-11(17-10)7-12(16)15(2)9-13(8-14)5-6-13/h3-4H,5-9,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 115272681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).