N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

C9H13NO — CID 16781359

IUPACN-[(5-methylfuran-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)o1
InChIInChI=1S/C9H13NO/c1-7-2-5-9(11-7)6-10-8-3-4-8/h2,5,8,10H,3-4,6H2,1H3
InChIKeyURQGMRGIKXSJGG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.84
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

N-[(5-methylfuran-2-yl)methyl]cyclopropanamine (PubChem CID 16781359) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]cyclopropanamine
PubChem CID16781359
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)o1
InChIInChI=1S/C9H13NO/c1-7-2-5-9(11-7)6-10-8-3-4-8/h2,5,8,10H,3-4,6H2,1H3
InChIKeyURQGMRGIKXSJGG-UHFFFAOYSA-N
XLogP1.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]cyclopropanamine (CID 16781359) is N-[(5-methylfuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]cyclopropanamine is Cc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The InChIKey is URQGMRGIKXSJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-2-5-9(11-7)6-10-8-3-4-8/h2,5,8,10H,3-4,6H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
N-[(5-methylfuran-2-yl)methyl]cyclopropanamine has a molecular weight of 151.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 16781359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).