N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

C14H23NO2S — CID 103802464

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCOCCC1(CNCc2ccc(CSC)o2)CC1
InChIInChI=1S/C14H23NO2S/c1-16-8-7-14(5-6-14)11-15-9-12-3-4-13(17-12)10-18-2/h3-4,15H,5-11H2,1-2H3
InChIKeyJCSYIFNNVLLBND-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.05
Rot. Bonds9

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 103802464) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID103802464
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCOCCC1(CNCc2ccc(CSC)o2)CC1
InChIInChI=1S/C14H23NO2S/c1-16-8-7-14(5-6-14)11-15-9-12-3-4-13(17-12)10-18-2/h3-4,15H,5-11H2,1-2H3
InChIKeyJCSYIFNNVLLBND-UHFFFAOYSA-N
XLogP3.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine with MolForge

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Related Compounds

1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680349
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106125741
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 103802259

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (CID 103802464) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is COCCC1(CNCc2ccc(CSC)o2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is JCSYIFNNVLLBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-8-7-14(5-6-14)11-15-9-12-3-4-13(17-12)10-18-2/h3-4,15H,5-11H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 103802464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).