N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine

C14H23NO2 — CID 79113962

IUPACN-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESC=CCCCOCc1occc1CNCCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-9-16-12-14-13(7-10-17-14)11-15-8-4-2/h3,7,10,15H,1,4-6,8-9,11-12H2,2H3
InChIKeyKVQSGMRCDQPZDM-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.26
Rot. Bonds10

About N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 79113962) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID79113962
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESC=CCCCOCc1occc1CNCCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-9-16-12-14-13(7-10-17-14)11-15-8-4-2/h3,7,10,15H,1,4-6,8-9,11-12H2,2H3
InChIKeyKVQSGMRCDQPZDM-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.26
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-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 64738120
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 79113962) is N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine is C=CCCCOCc1occc1CNCCC.
What is the InChIKey of N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is KVQSGMRCDQPZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-9-16-12-14-13(7-10-17-14)11-15-8-4-2/h3,7,10,15H,1,4-6,8-9,11-12H2,2H3.
What are the key properties of N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79113962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).