N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

C11H19NO2S — CID 82710130

IUPACN-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNOCC(C)C)o1
InChIInChI=1S/C11H19NO2S/c1-9(2)7-13-12-6-10-4-5-11(14-10)8-15-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyHBAICAGJKZRYRB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.82
Rot. Bonds7

About N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 82710130) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID82710130
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNOCC(C)C)o1
InChIInChI=1S/C11H19NO2S/c1-9(2)7-13-12-6-10-4-5-11(14-10)8-15-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyHBAICAGJKZRYRB-UHFFFAOYSA-N
XLogP2.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
CID 82709928
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
CID 54953777
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
CID 79090711
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
CID 115733353
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855059
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (CID 82710130) is N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is CSCc1ccc(CNOCC(C)C)o1.
What is the InChIKey of N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is HBAICAGJKZRYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9(2)7-13-12-6-10-4-5-11(14-10)8-15-3/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 229.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 82710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).