5-(furan-2-ylmethoxy)-N-propylpentan-1-amine

C13H23NO2 — CID 62445042

IUPAC5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCc1ccco1
InChIInChI=1S/C13H23NO2/c1-2-8-14-9-4-3-5-10-15-12-13-7-6-11-16-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyIOJOFYVJKPZLMJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.97
Rot. Bonds10

About 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine

5-(furan-2-ylmethoxy)-N-propylpentan-1-amine (PubChem CID 62445042) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
PubChem CID62445042
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCc1ccco1
InChIInChI=1S/C13H23NO2/c1-2-8-14-9-4-3-5-10-15-12-13-7-6-11-16-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyIOJOFYVJKPZLMJ-UHFFFAOYSA-N
XLogP2.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.97
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

5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
2-(6-bromohexoxymethyl)furan
CID 86031197
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
CID 62577779
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
CID 81411518
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine (CID 62445042) is 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine is CCCNCCCCCOCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine?
The InChIKey is IOJOFYVJKPZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-8-14-9-4-3-5-10-15-12-13-7-6-11-16-13/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine?
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62445042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).