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

C11H17NO2 — CID 82718277

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1N[C@@H](C)c1ccco1
InChIInChI=1S/C11H17NO2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyKVORAHBBDLDACH-IDKOKCKLSA-N
MW195.26 g/mol
LogP2.11
Rot. Bonds3

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

N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine (PubChem CID 82718277) 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]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
PubChem CID82718277
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1N[C@@H](C)c1ccco1
InChIInChI=1S/C11H17NO2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyKVORAHBBDLDACH-IDKOKCKLSA-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

trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
CID 81399364
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 81402767
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
CID 115336297
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
(3R,4R)-4-[1-(furan-2-yl)ethylamino]pyrrolidin-3-ol
CID 131175689
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
2-(aminomethyl)-N-[(1R)-1-(furan-2-yl)ethyl]cyclohexan-1-amine
CID 81403207
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]cyclopentan-1-amine
CID 81403374

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine (CID 82718277) is N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine is CC1OCCC1N[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is KVORAHBBDLDACH-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-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]-2-methyloxolan-3-amine is sourced from PubChem (CID 82718277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).