(1,4-ditert-butylpyrrolidin-2-yl)methanol

C13H27NO — CID 90348353

IUPAC(1,4-ditert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CC(CO)N(C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyBNHHGJPGKKBZQR-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.51
Rot. Bonds1

About (1,4-ditert-butylpyrrolidin-2-yl)methanol

(1,4-ditert-butylpyrrolidin-2-yl)methanol (PubChem CID 90348353) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is (1,4-ditert-butylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1,4-ditert-butylpyrrolidin-2-yl)methanol
PubChem CID90348353
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name(1,4-ditert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CC(CO)N(C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyBNHHGJPGKKBZQR-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,4-ditert-butylpyrrolidin-2-yl)methanol?
The IUPAC name of (1,4-ditert-butylpyrrolidin-2-yl)methanol (CID 90348353) is (1,4-ditert-butylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1,4-ditert-butylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1,4-ditert-butylpyrrolidin-2-yl)methanol is CC(C)(C)C1CC(CO)N(C(C)(C)C)C1.
What is the InChIKey of (1,4-ditert-butylpyrrolidin-2-yl)methanol?
The InChIKey is BNHHGJPGKKBZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of (1,4-ditert-butylpyrrolidin-2-yl)methanol?
(1,4-ditert-butylpyrrolidin-2-yl)methanol has a molecular weight of 213.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-ditert-butylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 90348353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).