4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol

C13H23NO2 — CID 115714813

IUPAC4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
SMILESCc1ccc(C(C)NCC(O)CC(C)C)o1
InChIInChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-6-5-10(3)16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3
InChIKeyWQZBQBDXKGRBLN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.65
Rot. Bonds6

About 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol

4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol (PubChem CID 115714813) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
PubChem CID115714813
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
SMILESCc1ccc(C(C)NCC(O)CC(C)C)o1
InChIInChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-6-5-10(3)16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3
InChIKeyWQZBQBDXKGRBLN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol (CID 115714813) is 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol is Cc1ccc(C(C)NCC(O)CC(C)C)o1.
What is the InChIKey of 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol?
The InChIKey is WQZBQBDXKGRBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-6-5-10(3)16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3.
What are the key properties of 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol?
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 115714813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).