2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol

C13H23NO2 — CID 115920447

IUPAC2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1occc1C
InChIInChI=1S/C13H23NO2/c1-5-7-13(4,9-15)14-11(3)12-10(2)6-8-16-12/h6,8,11,14-15H,5,7,9H2,1-4H3
InChIKeyCWVQCSUPZFFRGJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.79
Rot. Bonds6

About 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol

2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol (PubChem CID 115920447) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
PubChem CID115920447
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1occc1C
InChIInChI=1S/C13H23NO2/c1-5-7-13(4,9-15)14-11(3)12-10(2)6-8-16-12/h6,8,11,14-15H,5,7,9H2,1-4H3
InChIKeyCWVQCSUPZFFRGJ-UHFFFAOYSA-N
XLogP2.79
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
CID 115927326
2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 115920460
2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
CID 115920469
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 115892146
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
CID 104800841
2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
CID 115927552
2-butan-2-yl-3-methylfuran
CID 89080868
2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
CID 115920407
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
2-(3-methylfuran-2-yl)hexan-1-ol
CID 140985525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol (CID 115920447) is 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol is CCCC(C)(CO)NC(C)c1occc1C.
What is the InChIKey of 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol?
The InChIKey is CWVQCSUPZFFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-7-13(4,9-15)14-11(3)12-10(2)6-8-16-12/h6,8,11,14-15H,5,7,9H2,1-4H3.
What are the key properties of 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol?
2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115920447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).