2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine

C11H19N — CID 131200239

IUPAC2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCCC1CC(C)C
InChIInChI=1S/C11H19N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h1,10-11H,5-9H2,2-3H3
InChIKeyBZYLEQQLPZPGNU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine

2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine (PubChem CID 131200239) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
PubChem CID131200239
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCCC1CC(C)C
InChIInChI=1S/C11H19N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h1,10-11H,5-9H2,2-3H3
InChIKeyBZYLEQQLPZPGNU-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(1-prop-2-ynylazepan-2-yl)methanol
CID 116637134
1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972118
1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol
CID 115758860
1-(1-prop-2-ynylazepan-2-yl)propan-2-one
CID 79560607
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
3-methyl-2-propyl-1-prop-2-ynylpiperidine
CID 130735087
(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol
CID 100847822
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine (CID 131200239) is 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine is C#CCN1CCCC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine?
The InChIKey is BZYLEQQLPZPGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine?
2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine is sourced from PubChem (CID 131200239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).