4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine

C15H32N2 — CID 171473066

IUPAC4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-14(2,3)17-12-13(11-15(17,4)5)9-7-8-10-16-6/h13,16H,7-12H2,1-6H3
InChIKeyABINMBKXLFONOA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds5

About 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine

4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine (PubChem CID 171473066) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine
PubChem CID171473066
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-14(2,3)17-12-13(11-15(17,4)5)9-7-8-10-16-6/h13,16H,7-12H2,1-6H3
InChIKeyABINMBKXLFONOA-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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)-N-methylbutan-1-amine?
The IUPAC name of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine (CID 171473066) is 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine is CNCCCCC1CN(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine?
The InChIKey is ABINMBKXLFONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2,3)17-12-13(11-15(17,4)5)9-7-8-10-16-6/h13,16H,7-12H2,1-6H3.
What are the key properties of 4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine?
4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-N-methylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 5 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)-N-methylbutan-1-amine is sourced from PubChem (CID 171473066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).