2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine

C12H21N — CID 66465630

IUPAC2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine
SMILESCC#CCC1(CC(C)C)CCCN1
InChIInChI=1S/C12H21N/c1-4-5-7-12(10-11(2)3)8-6-9-13-12/h11,13H,6-10H2,1-3H3
InChIKeyKWWHHRMZTHDBJO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds3

About 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine

2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 66465630) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine
PubChem CID66465630
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine
SMILESCC#CCC1(CC(C)C)CCCN1
InChIInChI=1S/C12H21N/c1-4-5-7-12(10-11(2)3)8-6-9-13-12/h11,13H,6-10H2,1-3H3
InChIKeyKWWHHRMZTHDBJO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
CID 66468119
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
2-pent-3-ynyl-2-propylpyrrolidine
CID 104806327
2-but-2-ynyl-2-propan-2-ylazepane
CID 79117232
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
2-methyl-2-(2-methylpropyl)-1,3-diazinane
CID 86188773
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine (CID 66465630) is 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine is CC#CCC1(CC(C)C)CCCN1.
What is the InChIKey of 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is KWWHHRMZTHDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-5-7-12(10-11(2)3)8-6-9-13-12/h11,13H,6-10H2,1-3H3.
What are the key properties of 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine?
2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66465630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).