N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine

C13H22N2O2 — CID 62460736

IUPACN-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C13H22N2O2/c1-15(2)5-6-16-10-13-7-11(9-17-13)8-14-12-3-4-12/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyDDRVPEMLRFVUMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

About N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62460736) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62460736
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C13H22N2O2/c1-15(2)5-6-16-10-13-7-11(9-17-13)8-14-12-3-4-12/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyDDRVPEMLRFVUMW-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
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-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
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-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62430853

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine (CID 62460736) is N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine is CN(C)CCOCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is DDRVPEMLRFVUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)5-6-16-10-13-7-11(9-17-13)8-14-12-3-4-12/h7,9,12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).