N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine

C14H23NO2 — CID 63013091

IUPACN-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)C1CCCOC1
InChIInChI=1S/C14H23NO2/c1-3-8-15-14(12-5-4-9-16-10-12)13-7-6-11(2)17-13/h6-7,12,14-15H,3-5,8-10H2,1-2H3
InChIKeyFWCTWVSDIIPDTG-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.06
Rot. Bonds5

About N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine

N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 63013091) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID63013091
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)C1CCCOC1
InChIInChI=1S/C14H23NO2/c1-3-8-15-14(12-5-4-9-16-10-12)13-7-6-11(2)17-13/h6-7,12,14-15H,3-5,8-10H2,1-2H3
InChIKeyFWCTWVSDIIPDTG-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(5-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 114729168
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine (CID 63013091) is N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)o1)C1CCCOC1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is FWCTWVSDIIPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-15-14(12-5-4-9-16-10-12)13-7-6-11(2)17-13/h6-7,12,14-15H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63013091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).