5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol

C13H28N2O — CID 176601408

IUPAC5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
SMILESCC(C)N(CCC1CC(O)CN1)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)15(13(3,4)5)7-6-11-8-12(16)9-14-11/h10-12,14,16H,6-9H2,1-5H3
InChIKeyVPXCBZLWDDEKCI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds4

About 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol

5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol (PubChem CID 176601408) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
PubChem CID176601408
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
SMILESCC(C)N(CCC1CC(O)CN1)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)15(13(3,4)5)7-6-11-8-12(16)9-14-11/h10-12,14,16H,6-9H2,1-5H3
InChIKeyVPXCBZLWDDEKCI-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
CID 82952206
(3S,5R)-5-(2-methoxyethyl)pyrrolidin-3-ol
CID 143593756
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
2-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601955
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 81056012
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
5-[(dibutylamino)methyl]pyrrolidin-3-ol
CID 66056350
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 155904303

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol?
The IUPAC name of 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol (CID 176601408) is 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol is CC(C)N(CCC1CC(O)CN1)C(C)(C)C.
What is the InChIKey of 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol?
The InChIKey is VPXCBZLWDDEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)15(13(3,4)5)7-6-11-8-12(16)9-14-11/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol?
5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 176601408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).