N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine

C10H15NO2 — CID 62444084

IUPACN-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCOCc1occc1CNC1CC1
InChIInChI=1S/C10H15NO2/c1-12-7-10-8(4-5-13-10)6-11-9-2-3-9/h4-5,9,11H,2-3,6-7H2,1H3
InChIKeySVYSQACAQKDKBL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.68
Rot. Bonds5

About N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62444084) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62444084
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCOCc1occc1CNC1CC1
InChIInChI=1S/C10H15NO2/c1-12-7-10-8(4-5-13-10)6-11-9-2-3-9/h4-5,9,11H,2-3,6-7H2,1H3
InChIKeySVYSQACAQKDKBL-UHFFFAOYSA-N
XLogP1.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62444084) is N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine is COCc1occc1CNC1CC1.
What is the InChIKey of N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is SVYSQACAQKDKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-7-10-8(4-5-13-10)6-11-9-2-3-9/h4-5,9,11H,2-3,6-7H2,1H3.
What are the key properties of N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 181.24 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62444084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).