2-pent-3-ynyl-2-propylpyrrolidine

C12H21N — CID 104806327

IUPAC2-pent-3-ynyl-2-propylpyrrolidine
SMILESCC#CCCC1(CCC)CCCN1
InChIInChI=1S/C12H21N/c1-3-5-6-9-12(8-4-2)10-7-11-13-12/h13H,4,6-11H2,1-2H3
InChIKeyQFOCTNXHNDHENM-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds4

About 2-pent-3-ynyl-2-propylpyrrolidine

2-pent-3-ynyl-2-propylpyrrolidine (PubChem CID 104806327) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-pent-3-ynyl-2-propylpyrrolidine.

Molecular Properties

Compound Name2-pent-3-ynyl-2-propylpyrrolidine
PubChem CID104806327
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-pent-3-ynyl-2-propylpyrrolidine
SMILESCC#CCCC1(CCC)CCCN1
InChIInChI=1S/C12H21N/c1-3-5-6-9-12(8-4-2)10-7-11-13-12/h13H,4,6-11H2,1-2H3
InChIKeyQFOCTNXHNDHENM-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.71
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-dipropylpyrrolidine
CID 13332418
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
2-butyl-2-hexylpyrrolidine
CID 174534205
2-methyl-2-pent-3-ynylazepane
CID 104806626
N-[(2-propylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 106976265
2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine
CID 66465630
2-(3-phenylpropyl)-2-propylpyrrolidine
CID 66467164
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 106976432
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106976507

Frequently Asked Questions

What is the IUPAC name of 2-pent-3-ynyl-2-propylpyrrolidine?
The IUPAC name of 2-pent-3-ynyl-2-propylpyrrolidine (CID 104806327) is 2-pent-3-ynyl-2-propylpyrrolidine.
What is the SMILES notation for 2-pent-3-ynyl-2-propylpyrrolidine?
The canonical SMILES for 2-pent-3-ynyl-2-propylpyrrolidine is CC#CCCC1(CCC)CCCN1.
What is the InChIKey of 2-pent-3-ynyl-2-propylpyrrolidine?
The InChIKey is QFOCTNXHNDHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-6-9-12(8-4-2)10-7-11-13-12/h13H,4,6-11H2,1-2H3.
What are the key properties of 2-pent-3-ynyl-2-propylpyrrolidine?
2-pent-3-ynyl-2-propylpyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-ynyl-2-propylpyrrolidine is sourced from PubChem (CID 104806327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).