1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol

C11H24N2O — CID 103355425

IUPAC1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CN)C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-10(2,3)9(7-12)13-6-5-11(4,14)8-13/h9,14H,5-8,12H2,1-4H3
InChIKeyUCCFYQDRBALPKE-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds2

About 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol

1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103355425) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID103355425
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CN)C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-10(2,3)9(7-12)13-6-5-11(4,14)8-13/h9,14H,5-8,12H2,1-4H3
InChIKeyUCCFYQDRBALPKE-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol (CID 103355425) is 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(C(CN)C(C)(C)C)C1.
What is the InChIKey of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is UCCFYQDRBALPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2,3)9(7-12)13-6-5-11(4,14)8-13/h9,14H,5-8,12H2,1-4H3.
What are the key properties of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol?
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).