[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol

C12H26N2O — CID 58311530

IUPAC[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol
SMILESCC(C)NC1CC(CO)N(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)13-10-6-11(8-15)14(7-10)12(3,4)5/h9-11,13,15H,6-8H2,1-5H3
InChIKeyKZIZJQLFZWHWPK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds3

About [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol

[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol (PubChem CID 58311530) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol
PubChem CID58311530
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol
SMILESCC(C)NC1CC(CO)N(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)13-10-6-11(8-15)14(7-10)12(3,4)5/h9-11,13,15H,6-8H2,1-5H3
InChIKeyKZIZJQLFZWHWPK-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol (CID 58311530) is [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol is CC(C)NC1CC(CO)N(C(C)(C)C)C1.
What is the InChIKey of [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol?
The InChIKey is KZIZJQLFZWHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)13-10-6-11(8-15)14(7-10)12(3,4)5/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol?
[1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-4-(propan-2-ylamino)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58311530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).