4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol

C14H29NO — CID 171473095

IUPAC4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol
SMILESCC(C)(C)N1CC(CCCCO)CC1(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-12(8-6-7-9-16)10-14(15,4)5/h12,16H,6-11H2,1-5H3
InChIKeyULBFRDCENVFZNS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds4

About 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol

4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol (PubChem CID 171473095) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol
PubChem CID171473095
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol
SMILESCC(C)(C)N1CC(CCCCO)CC1(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-12(8-6-7-9-16)10-14(15,4)5/h12,16H,6-11H2,1-5H3
InChIKeyULBFRDCENVFZNS-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol?
The IUPAC name of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol (CID 171473095) is 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol.
What is the SMILES notation for 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol?
The canonical SMILES for 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol is CC(C)(C)N1CC(CCCCO)CC1(C)C.
What is the InChIKey of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol?
The InChIKey is ULBFRDCENVFZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)15-11-12(8-6-7-9-16)10-14(15,4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol?
4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butan-1-ol is sourced from PubChem (CID 171473095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).