4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine

C16H27NO2 — CID 104625246

IUPAC4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H27NO2/c1-12-9-14(12)15-6-5-13(19-15)10-17-11-16(2,3)7-8-18-4/h5-6,12,14,17H,7-11H2,1-4H3
InChIKeyHFVYKRRCTFTPRD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.56
Rot. Bonds8

About 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine

4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine (PubChem CID 104625246) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
PubChem CID104625246
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H27NO2/c1-12-9-14(12)15-6-5-13(19-15)10-17-11-16(2,3)7-8-18-4/h5-6,12,14,17H,7-11H2,1-4H3
InChIKeyHFVYKRRCTFTPRD-UHFFFAOYSA-N
XLogP3.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine (CID 104625246) is 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine is COCCC(C)(C)CNCc1ccc(C2CC2C)o1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The InChIKey is HFVYKRRCTFTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-9-14(12)15-6-5-13(19-15)10-17-11-16(2,3)7-8-18-4/h5-6,12,14,17H,7-11H2,1-4H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 104625246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).