N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine

C13H23NO2 — CID 62564799

IUPACN-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCc1ccco1
InChIInChI=1S/C13H23NO2/c1-3-4-5-8-14-10-12(2)16-11-13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3
InChIKeyILNDRAWZNVMCOT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.96
Rot. Bonds9

About N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine

N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine (PubChem CID 62564799) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
PubChem CID62564799
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCc1ccco1
InChIInChI=1S/C13H23NO2/c1-3-4-5-8-14-10-12(2)16-11-13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3
InChIKeyILNDRAWZNVMCOT-UHFFFAOYSA-N
XLogP2.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.96
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

2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988
2-(hexan-2-yloxymethyl)furan
CID 141468564
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
2-(butan-2-yloxymethyl)furan
CID 118563774
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
2-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83046443
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
2-(furan-2-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83046613

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine (CID 62564799) is N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine is CCCCCNCC(C)OCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine?
The InChIKey is ILNDRAWZNVMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-8-14-10-12(2)16-11-13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine?
N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62564799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).