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

C17H29NO2 — CID 62457612

IUPACN-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-11-19-14-15-10-12-20-17(15)13-18-16-8-9-16/h10,12,16,18H,2-9,11,13-14H2,1H3
InChIKeyRXHOXBGXJQKVBY-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.41
Rot. Bonds12

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

N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62457612) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62457612
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCCOCc1ccoc1CNC1CC1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-11-19-14-15-10-12-20-17(15)13-18-16-8-9-16/h10,12,16,18H,2-9,11,13-14H2,1H3
InChIKeyRXHOXBGXJQKVBY-UHFFFAOYSA-N
XLogP4.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431615
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252

Frequently Asked Questions

What is the IUPAC name of N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62457612) is N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine is CCCCCCCCOCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RXHOXBGXJQKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-11-19-14-15-10-12-20-17(15)13-18-16-8-9-16/h10,12,16,18H,2-9,11,13-14H2,1H3.
What are the key properties of N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 279.42 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62457612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).