(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol

C11H24N2O — CID 58421522

IUPAC(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
SMILESCC(C)(C)NCCCN1CC[C@@H](O)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)12-6-4-7-13-8-5-10(14)9-13/h10,12,14H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMYPUMTZGNFDAOV-SNVBAGLBSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds4

About (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol

(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol (PubChem CID 58421522) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
PubChem CID58421522
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
SMILESCC(C)(C)NCCCN1CC[C@@H](O)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)12-6-4-7-13-8-5-10(14)9-13/h10,12,14H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMYPUMTZGNFDAOV-SNVBAGLBSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol (CID 58421522) is (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol is CC(C)(C)NCCCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol?
The InChIKey is MYPUMTZGNFDAOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)12-6-4-7-13-8-5-10(14)9-13/h10,12,14H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol?
(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 58421522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).