4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol

C14H30N2O — CID 113417223

IUPAC4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-15-13(7-9-17)11-16-8-6-12(10-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyOTWFYTWNHWGHME-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds6

About 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol

4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol (PubChem CID 113417223) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
PubChem CID113417223
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-15-13(7-9-17)11-16-8-6-12(10-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyOTWFYTWNHWGHME-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-ol
CID 64900324
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
CID 104746978
4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
CID 64899056
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505934
6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
CID 106799710
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
N-ethyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 62044690
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
CID 64897760
3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 113419309

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol?
The IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol (CID 113417223) is 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol is CCNC(CCO)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol?
The InChIKey is OTWFYTWNHWGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-13(7-9-17)11-16-8-6-12(10-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol?
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol is sourced from PubChem (CID 113417223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).