1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine

C10H17NO2 — CID 82711189

IUPAC1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
SMILESCc1ccc(CNOCC(C)C)o1
InChIInChI=1S/C10H17NO2/c1-8(2)7-12-11-6-10-5-4-9(3)13-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyOVXFLBCGLQSEMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.27
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine

1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine (PubChem CID 82711189) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
PubChem CID82711189
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
SMILESCc1ccc(CNOCC(C)C)o1
InChIInChI=1S/C10H17NO2/c1-8(2)7-12-11-6-10-5-4-9(3)13-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyOVXFLBCGLQSEMB-UHFFFAOYSA-N
XLogP2.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
CID 82709928
N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 54864368
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine
CID 43751641
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine (CID 82711189) is 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine is Cc1ccc(CNOCC(C)C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine?
The InChIKey is OVXFLBCGLQSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-12-11-6-10-5-4-9(3)13-10/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine?
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine has a molecular weight of 183.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82711189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).