N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine

C11H17NO2 — CID 81402561

IUPACN-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
SMILESC[C@H](NC1CCCOC1)c1ccco1
InChIInChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-10-4-2-6-13-8-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m0/s1
InChIKeyGRJBFTOOTGDBAX-RGURZIINSA-N
MW195.26 g/mol
LogP2.11
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine

N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine (PubChem CID 81402561) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
PubChem CID81402561
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
SMILESC[C@H](NC1CCCOC1)c1ccco1
InChIInChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-10-4-2-6-13-8-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m0/s1
InChIKeyGRJBFTOOTGDBAX-RGURZIINSA-N
XLogP2.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine (CID 81402561) is N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine is C[C@H](NC1CCCOC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine?
The InChIKey is GRJBFTOOTGDBAX-RGURZIINSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-10-4-2-6-13-8-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine?
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine has a molecular weight of 195.26 g/mol, XLogP of 2.11, 3 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]oxan-3-amine is sourced from PubChem (CID 81402561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).