3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol

C14H30N2O — CID 55076512

IUPAC3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNCC(C)(C)CN1CCCC1CCCO
InChIInChI=1S/C14H30N2O/c1-4-15-11-14(2,3)12-16-9-5-7-13(16)8-6-10-17/h13,15,17H,4-12H2,1-3H3
InChIKeyHAOTULPSYMRHKF-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076512) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076512
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNCC(C)(C)CN1CCCC1CCCO
InChIInChI=1S/C14H30N2O/c1-4-15-11-14(2,3)12-16-9-5-7-13(16)8-6-10-17/h13,15,17H,4-12H2,1-3H3
InChIKeyHAOTULPSYMRHKF-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
CID 62261349
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 62478854
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
CID 62479744
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62257221
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol (CID 55076512) is 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol is CCNCC(C)(C)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is HAOTULPSYMRHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-15-11-14(2,3)12-16-9-5-7-13(16)8-6-10-17/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).