1-(5-methylhex-1-yn-3-yl)pyrrolidine

C11H19N — CID 142940648

IUPAC1-(5-methylhex-1-yn-3-yl)pyrrolidine
SMILESC#CC(CC(C)C)N1CCCC1
InChIInChI=1S/C11H19N/c1-4-11(9-10(2)3)12-7-5-6-8-12/h1,10-11H,5-9H2,2-3H3
InChIKeyRKFDUNMPAJYZBB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds3

About 1-(5-methylhex-1-yn-3-yl)pyrrolidine

1-(5-methylhex-1-yn-3-yl)pyrrolidine (PubChem CID 142940648) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(5-methylhex-1-yn-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-methylhex-1-yn-3-yl)pyrrolidine
PubChem CID142940648
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(5-methylhex-1-yn-3-yl)pyrrolidine
SMILESC#CC(CC(C)C)N1CCCC1
InChIInChI=1S/C11H19N/c1-4-11(9-10(2)3)12-7-5-6-8-12/h1,10-11H,5-9H2,2-3H3
InChIKeyRKFDUNMPAJYZBB-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhex-1-yn-3-yl)pyrrolidine?
The IUPAC name of 1-(5-methylhex-1-yn-3-yl)pyrrolidine (CID 142940648) is 1-(5-methylhex-1-yn-3-yl)pyrrolidine.
What is the SMILES notation for 1-(5-methylhex-1-yn-3-yl)pyrrolidine?
The canonical SMILES for 1-(5-methylhex-1-yn-3-yl)pyrrolidine is C#CC(CC(C)C)N1CCCC1.
What is the InChIKey of 1-(5-methylhex-1-yn-3-yl)pyrrolidine?
The InChIKey is RKFDUNMPAJYZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(9-10(2)3)12-7-5-6-8-12/h1,10-11H,5-9H2,2-3H3.
What are the key properties of 1-(5-methylhex-1-yn-3-yl)pyrrolidine?
1-(5-methylhex-1-yn-3-yl)pyrrolidine 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 1-(5-methylhex-1-yn-3-yl)pyrrolidine is sourced from PubChem (CID 142940648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).