2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol

C14H29NO2 — CID 104668729

IUPAC2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-16)11-15-9-5-7-13-8-6-10-17-13/h13,15-16H,3-12H2,1-2H3
InChIKeyCZWIADKPJXANTQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds9

About 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol

2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol (PubChem CID 104668729) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
PubChem CID104668729
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-16)11-15-9-5-7-13-8-6-10-17-13/h13,15-16H,3-12H2,1-2H3
InChIKeyCZWIADKPJXANTQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62257104

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol (CID 104668729) is 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCCCC1CCCO1.
What is the InChIKey of 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol?
The InChIKey is CZWIADKPJXANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-14(4-2,12-16)11-15-9-5-7-13-8-6-10-17-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol?
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol is sourced from PubChem (CID 104668729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).