2-methyl-2-pent-3-ynylpyrrolidine

C10H17N — CID 104806320

IUPAC2-methyl-2-pent-3-ynylpyrrolidine
SMILESCC#CCCC1(C)CCCN1
InChIInChI=1S/C10H17N/c1-3-4-5-7-10(2)8-6-9-11-10/h11H,5-9H2,1-2H3
InChIKeyKNXHSMMCRAKAIM-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.93
Rot. Bonds2

About 2-methyl-2-pent-3-ynylpyrrolidine

2-methyl-2-pent-3-ynylpyrrolidine (PubChem CID 104806320) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methyl-2-pent-3-ynylpyrrolidine.

Molecular Properties

Compound Name2-methyl-2-pent-3-ynylpyrrolidine
PubChem CID104806320
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methyl-2-pent-3-ynylpyrrolidine
SMILESCC#CCCC1(C)CCCN1
InChIInChI=1S/C10H17N/c1-3-4-5-7-10(2)8-6-9-11-10/h11H,5-9H2,1-2H3
InChIKeyKNXHSMMCRAKAIM-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.93
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-methyl-2-pent-3-ynylazepane
CID 104806626
2-pent-3-ynyl-2-propylpyrrolidine
CID 104806327
2-(3,3-dimethylbutyl)-2-methylpyrrolidine
CID 66466219
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 66467821
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
CID 117271549
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 69341147
(1-pent-3-ynylcyclopentyl)methanamine
CID 126977362
2-(4-methoxybutyl)-2-methylpiperidine
CID 117271567
1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
CID 117271787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pent-3-ynylpyrrolidine?
The IUPAC name of 2-methyl-2-pent-3-ynylpyrrolidine (CID 104806320) is 2-methyl-2-pent-3-ynylpyrrolidine.
What is the SMILES notation for 2-methyl-2-pent-3-ynylpyrrolidine?
The canonical SMILES for 2-methyl-2-pent-3-ynylpyrrolidine is CC#CCCC1(C)CCCN1.
What is the InChIKey of 2-methyl-2-pent-3-ynylpyrrolidine?
The InChIKey is KNXHSMMCRAKAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-7-10(2)8-6-9-11-10/h11H,5-9H2,1-2H3.
What are the key properties of 2-methyl-2-pent-3-ynylpyrrolidine?
2-methyl-2-pent-3-ynylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-3-ynylpyrrolidine is sourced from PubChem (CID 104806320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).