3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol

C14H29NO2 — CID 79573999

IUPAC3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCCOCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H29NO2/c1-4-11-17-12-13(16)14(5-2,6-3)15-9-7-8-10-15/h13,16H,4-12H2,1-3H3
InChIKeyUIVYXVDCAHADEI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds8

About 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol

3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 79573999) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID79573999
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCCOCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H29NO2/c1-4-11-17-12-13(16)14(5-2,6-3)15-9-7-8-10-15/h13,16H,4-12H2,1-3H3
InChIKeyUIVYXVDCAHADEI-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-yl)hydrazine
CID 105242101
3-ethyl-3-pyrrolidin-1-yldecan-4-ol
CID 79068138
5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
CID 79067574
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
(3-methyl-3-piperidin-1-yl-1-propoxypentan-2-yl)hydrazine
CID 105241264
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815
N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
CID 79574688
3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567325
1-ethoxy-3-(hydroxymethyl)-3-methoxy-5-propoxypentane-2,4-diol
CID 90731721
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567595

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol (CID 79573999) is 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol is CCCOCC(O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is UIVYXVDCAHADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-11-17-12-13(16)14(5-2,6-3)15-9-7-8-10-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol?
3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 79573999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).