N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine

C16H27NO2 — CID 66226191

IUPACN-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COCCC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-13(11-18-8-7-16(2,3)4)9-15(19-12)10-17-14-5-6-14/h9,14,17H,5-8,10-11H2,1-4H3
InChIKeyMKGAZTBTNJCNPQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds7

About N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine

N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 66226191) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID66226191
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COCCC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-13(11-18-8-7-16(2,3)4)9-15(19-12)10-17-14-5-6-14/h9,14,17H,5-8,10-11H2,1-4H3
InChIKeyMKGAZTBTNJCNPQ-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine 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

N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443618
N-[[5-methyl-4-(oxolan-2-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446310
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62441084
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 66226191) is N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1COCCC(C)(C)C.
What is the InChIKey of N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is MKGAZTBTNJCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-13(11-18-8-7-16(2,3)4)9-15(19-12)10-17-14-5-6-14/h9,14,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66226191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).