N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine

C14H23NO2 — CID 81402767

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(N[C@@H](C)c2ccco2)CCO1
InChIInChI=1S/C14H23NO2/c1-10(2)14-9-12(6-8-17-14)15-11(3)13-5-4-7-16-13/h4-5,7,10-12,14-15H,6,8-9H2,1-3H3/t11-,12?,14?/m0/s1
InChIKeyZPUKFLJXQNKFPJ-DCBWTQNWSA-N
MW237.34 g/mol
LogP3.13
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine (PubChem CID 81402767) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
PubChem CID81402767
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(N[C@@H](C)c2ccco2)CCO1
InChIInChI=1S/C14H23NO2/c1-10(2)14-9-12(6-8-17-14)15-11(3)13-5-4-7-16-13/h4-5,7,10-12,14-15H,6,8-9H2,1-3H3/t11-,12?,14?/m0/s1
InChIKeyZPUKFLJXQNKFPJ-DCBWTQNWSA-N
XLogP3.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
N-[(1R)-1-(4-bromophenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81353598
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
CID 51690741
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine (CID 81402767) is N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine is CC(C)C1CC(N[C@@H](C)c2ccco2)CCO1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine?
The InChIKey is ZPUKFLJXQNKFPJ-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)14-9-12(6-8-17-14)15-11(3)13-5-4-7-16-13/h4-5,7,10-12,14-15H,6,8-9H2,1-3H3/t11-,12?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine has a molecular weight of 237.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 81402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).