N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine

C12H19NO2 — CID 62456702

IUPACN-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCC(C)OCc1cc(CNC2CC2)co1
InChIInChI=1S/C12H19NO2/c1-9(2)14-8-12-5-10(7-15-12)6-13-11-3-4-11/h5,7,9,11,13H,3-4,6,8H2,1-2H3
InChIKeyLPSVPMBZUCHXDV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds6

About N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62456702) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62456702
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCC(C)OCc1cc(CNC2CC2)co1
InChIInChI=1S/C12H19NO2/c1-9(2)14-8-12-5-10(7-15-12)6-13-11-3-4-11/h5,7,9,11,13H,3-4,6,8H2,1-2H3
InChIKeyLPSVPMBZUCHXDV-UHFFFAOYSA-N
XLogP2.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62445685
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62456702) is N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine is CC(C)OCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is LPSVPMBZUCHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)14-8-12-5-10(7-15-12)6-13-11-3-4-11/h5,7,9,11,13H,3-4,6,8H2,1-2H3.
What are the key properties of N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 209.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62456702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).