3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol

C15H31N3O2 — CID 114357241

IUPAC3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-15(2,3)14(16)13(11-19)18-5-4-12(10-18)17-6-8-20-9-7-17/h12-14,19H,4-11,16H2,1-3H3
InChIKeyLFFAXRJZORLZBM-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.13
Rot. Bonds4

About 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol

3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 114357241) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
PubChem CID114357241
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-15(2,3)14(16)13(11-19)18-5-4-12(10-18)17-6-8-20-9-7-17/h12-14,19H,4-11,16H2,1-3H3
InChIKeyLFFAXRJZORLZBM-UHFFFAOYSA-N
XLogP0.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol (CID 114357241) is 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol is CC(C)(C)C(N)C(CO)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is LFFAXRJZORLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-15(2,3)14(16)13(11-19)18-5-4-12(10-18)17-6-8-20-9-7-17/h12-14,19H,4-11,16H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 114357241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).