3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol

C13H23NO2 — CID 104663612

IUPAC3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-10(11-6-5-9-16-11)14-12(7-8-15)13(2,3)4/h5-6,9-10,12,14-15H,7-8H2,1-4H3
InChIKeyIBUSMQUZFCFDNV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.73
Rot. Bonds5

About 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol

3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104663612) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID104663612
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-10(11-6-5-9-16-11)14-12(7-8-15)13(2,3)4/h5-6,9-10,12,14-15H,7-8H2,1-4H3
InChIKeyIBUSMQUZFCFDNV-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926019
3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115723211
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol (CID 104663612) is 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is IBUSMQUZFCFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(11-6-5-9-16-11)14-12(7-8-15)13(2,3)4/h5-6,9-10,12,14-15H,7-8H2,1-4H3.
What are the key properties of 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).