N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine

C13H21NO2 — CID 63360149

IUPACN-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
SMILESCC(CCc1ccco1)NC1CCCOC1
InChIInChI=1S/C13H21NO2/c1-11(6-7-13-5-3-9-16-13)14-12-4-2-8-15-10-12/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3
InChIKeyASTXOPOSJZEFFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine

N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine (PubChem CID 63360149) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
PubChem CID63360149
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
SMILESCC(CCc1ccco1)NC1CCCOC1
InChIInChI=1S/C13H21NO2/c1-11(6-7-13-5-3-9-16-13)14-12-4-2-8-15-10-12/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3
InChIKeyASTXOPOSJZEFFN-UHFFFAOYSA-N
XLogP2.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 124726359
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129476158
3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
CID 43634569
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine (CID 63360149) is N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine is CC(CCc1ccco1)NC1CCCOC1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The InChIKey is ASTXOPOSJZEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(6-7-13-5-3-9-16-13)14-12-4-2-8-15-10-12/h3,5,9,11-12,14H,2,4,6-8,10H2,1H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine?
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine is sourced from PubChem (CID 63360149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).