4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol

C11H23NO3 — CID 104628582

IUPAC4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol
SMILESCC(CCCO)NCCC1(C)OCCO1
InChIInChI=1S/C11H23NO3/c1-10(4-3-7-13)12-6-5-11(2)14-8-9-15-11/h10,12-13H,3-9H2,1-2H3
InChIKeyRNAAFSFPJKTVKU-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.89
Rot. Bonds7

About 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol

4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol (PubChem CID 104628582) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol
PubChem CID104628582
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol
SMILESCC(CCCO)NCCC1(C)OCCO1
InChIInChI=1S/C11H23NO3/c1-10(4-3-7-13)12-6-5-11(2)14-8-9-15-11/h10,12-13H,3-9H2,1-2H3
InChIKeyRNAAFSFPJKTVKU-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propan-2-amine
CID 104628570
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
4-[2-[methyl(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 115971792
4-(4-methylsulfanylbutylamino)pentan-1-ol
CID 115972036
1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
CID 104628579
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
4-[(3-chloro-2-methylprop-2-enyl)amino]pentan-1-ol
CID 106437903
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol (CID 104628582) is 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol is CC(CCCO)NCCC1(C)OCCO1.
What is the InChIKey of 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol?
The InChIKey is RNAAFSFPJKTVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(4-3-7-13)12-6-5-11(2)14-8-9-15-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol?
4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 104628582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).