N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C13H21NO2 — CID 62997767

IUPACN-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccco2)CCOC1
InChIInChI=1S/C13H21NO2/c1-2-6-14-10-13(5-8-15-11-13)9-12-4-3-7-16-12/h3-4,7,14H,2,5-6,8-11H2,1H3
InChIKeySDLFKOUVFQSIIL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds6

About N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62997767) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62997767
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccco2)CCOC1
InChIInChI=1S/C13H21NO2/c1-2-6-14-10-13(5-8-15-11-13)9-12-4-3-7-16-12/h3-4,7,14H,2,5-6,8-11H2,1H3
InChIKeySDLFKOUVFQSIIL-UHFFFAOYSA-N
XLogP2.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
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

[3-(furan-2-ylmethyl)oxolan-3-yl]methanol
CID 66059212
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 79229598
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62997767) is N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2ccco2)CCOC1.
What is the InChIKey of N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is SDLFKOUVFQSIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-6-14-10-13(5-8-15-11-13)9-12-4-3-7-16-12/h3-4,7,14H,2,5-6,8-11H2,1H3.
What are the key properties of N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).