[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol

C12H25NO — CID 130232268

IUPAC[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)C1C[C@@](C)(CO)CN1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11-6-12(5,8-14)7-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3/t11?,12-/m1/s1
InChIKeyACWLQGHDOZEQID-PIJUOVFKSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds3

About [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol

[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 130232268) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
PubChem CID130232268
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)C1C[C@@](C)(CO)CN1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11-6-12(5,8-14)7-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3/t11?,12-/m1/s1
InChIKeyACWLQGHDOZEQID-PIJUOVFKSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol (CID 130232268) is [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol is CC(C)C1C[C@@](C)(CO)CN1C(C)C.
What is the InChIKey of [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is ACWLQGHDOZEQID-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11-6-12(5,8-14)7-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
[(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 130232268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).