N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

C15H23NO3 — CID 62441084

IUPACN-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-11-12(10-18-14-4-6-17-7-5-14)8-15(19-11)9-16-13-2-3-13/h8,13-14,16H,2-7,9-10H2,1H3
InChIKeyIXKUQFWZTAVTHP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.54
Rot. Bonds6

About N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62441084) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62441084
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-11-12(10-18-14-4-6-17-7-5-14)8-15(19-11)9-16-13-2-3-13/h8,13-14,16H,2-7,9-10H2,1H3
InChIKeyIXKUQFWZTAVTHP-UHFFFAOYSA-N
XLogP2.54
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 66226191
N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62444819
N-[[5-methyl-4-(oxolan-2-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446310
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 64601067
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 114342470
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
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
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62441084) is N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1COC1CCOCC1.
What is the InChIKey of N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is IXKUQFWZTAVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-12(10-18-14-4-6-17-7-5-14)8-15(19-11)9-16-13-2-3-13/h8,13-14,16H,2-7,9-10H2,1H3.
What are the key properties of N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62441084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).