N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine

C13H22N2O — CID 66337536

IUPACN-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCNCc1ccc(CCCCNC2CC2)o1
InChIInChI=1S/C13H22N2O/c1-14-10-13-8-7-12(16-13)4-2-3-9-15-11-5-6-11/h7-8,11,14-15H,2-6,9-10H2,1H3
InChIKeyYCRKSUUXIYIRMC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.07
Rot. Bonds8

About N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine

N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine (PubChem CID 66337536) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
PubChem CID66337536
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCNCc1ccc(CCCCNC2CC2)o1
InChIInChI=1S/C13H22N2O/c1-14-10-13-8-7-12(16-13)4-2-3-9-15-11-5-6-11/h7-8,11,14-15H,2-6,9-10H2,1H3
InChIKeyYCRKSUUXIYIRMC-UHFFFAOYSA-N
XLogP2.07
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine (CID 66337536) is N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine is CNCc1ccc(CCCCNC2CC2)o1.
What is the InChIKey of N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The InChIKey is YCRKSUUXIYIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-10-13-8-7-12(16-13)4-2-3-9-15-11-5-6-11/h7-8,11,14-15H,2-6,9-10H2,1H3.
What are the key properties of N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine has a molecular weight of 222.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66337536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).