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

C13H22N2O2 — CID 62460189

IUPACN-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCc1ccoc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-15(2)6-8-16-10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3
InChIKeyIHALPCPCYACDTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

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

N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62460189) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62460189
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCc1ccoc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-15(2)6-8-16-10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3
InChIKeyIHALPCPCYACDTM-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-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (CID 62460189) is N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is CN(C)CCOCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is IHALPCPCYACDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)6-8-16-10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-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-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).