N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine

C14H21NO2 — CID 79113810

IUPACN-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESC=CCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C14H21NO2/c1-2-3-4-8-16-11-12-7-9-17-14(12)10-15-13-5-6-13/h2,7,9,13,15H,1,3-6,8,10-11H2
InChIKeyWSKXAMHWPNMPCM-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds9

About N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 79113810) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID79113810
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESC=CCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C14H21NO2/c1-2-3-4-8-16-11-12-7-9-17-14(12)10-15-13-5-6-13/h2,7,9,13,15H,1,3-6,8,10-11H2
InChIKeyWSKXAMHWPNMPCM-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62523408

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 79113810) is N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine is C=CCCCOCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WSKXAMHWPNMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-8-16-11-12-7-9-17-14(12)10-15-13-5-6-13/h2,7,9,13,15H,1,3-6,8,10-11H2.
What are the key properties of N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79113810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).