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

C13H21NO3 — CID 62442427

IUPACN-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C13H21NO3/c1-15-6-2-7-16-10-11-5-8-17-13(11)9-14-12-3-4-12/h5,8,12,14H,2-4,6-7,9-10H2,1H3
InChIKeyPPHXJCYPDHNNCG-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.08
Rot. Bonds9

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

N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62442427) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62442427
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C13H21NO3/c1-15-6-2-7-16-10-11-5-8-17-13(11)9-14-12-3-4-12/h5,8,12,14H,2-4,6-7,9-10H2,1H3
InChIKeyPPHXJCYPDHNNCG-UHFFFAOYSA-N
XLogP2.08
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.08
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-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
CID 103181044
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[[2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62435969
N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62442427) is N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine is COCCCOCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PPHXJCYPDHNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-6-2-7-16-10-11-5-8-17-13(11)9-14-12-3-4-12/h5,8,12,14H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 239.31 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62442427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).