2-tert-butyl-2-nonylpyrrolidine

C17H35N — CID 66468101

IUPAC2-tert-butyl-2-nonylpyrrolidine
SMILESCCCCCCCCCC1(C(C)(C)C)CCCN1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-11-13-17(16(2,3)4)14-12-15-18-17/h18H,5-15H2,1-4H3
InChIKeyUKRXSROHSSKLRW-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds8

About 2-tert-butyl-2-nonylpyrrolidine

2-tert-butyl-2-nonylpyrrolidine (PubChem CID 66468101) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-tert-butyl-2-nonylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-nonylpyrrolidine
PubChem CID66468101
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-tert-butyl-2-nonylpyrrolidine
SMILESCCCCCCCCCC1(C(C)(C)C)CCCN1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-11-13-17(16(2,3)4)14-12-15-18-17/h18H,5-15H2,1-4H3
InChIKeyUKRXSROHSSKLRW-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-hexylpyrrolidine
CID 174534205
2-tert-butyl-2-(2-methylpropyl)pyrrolidine
CID 66468102
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
2-ethyl-2-pentylazepane
CID 79116798
1,1-dioctylcyclopentane
CID 54295272
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1-dihexadecylcyclopentane
CID 141255150
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-di(nonyl)cyclopentane
CID 154318487
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
CID 66465162

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-nonylpyrrolidine?
The IUPAC name of 2-tert-butyl-2-nonylpyrrolidine (CID 66468101) is 2-tert-butyl-2-nonylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-nonylpyrrolidine?
The canonical SMILES for 2-tert-butyl-2-nonylpyrrolidine is CCCCCCCCCC1(C(C)(C)C)CCCN1.
What is the InChIKey of 2-tert-butyl-2-nonylpyrrolidine?
The InChIKey is UKRXSROHSSKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-10-11-13-17(16(2,3)4)14-12-15-18-17/h18H,5-15H2,1-4H3.
What are the key properties of 2-tert-butyl-2-nonylpyrrolidine?
2-tert-butyl-2-nonylpyrrolidine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-nonylpyrrolidine is sourced from PubChem (CID 66468101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).