1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine

C12H20N2 — CID 63999702

IUPAC1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine
SMILESC#CC(C)(C)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2/c1-4-12(2,3)13-10-7-8-14(9-10)11-5-6-11/h1,10-11,13H,5-9H2,2-3H3
InChIKeyJFJMULALILIVKU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.22
Rot. Bonds3

About 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine

1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine (PubChem CID 63999702) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine
PubChem CID63999702
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine
SMILESC#CC(C)(C)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2/c1-4-12(2,3)13-10-7-8-14(9-10)11-5-6-11/h1,10-11,13H,5-9H2,2-3H3
InChIKeyJFJMULALILIVKU-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine (CID 63999702) is 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine is C#CC(C)(C)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine?
The InChIKey is JFJMULALILIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(2,3)13-10-7-8-14(9-10)11-5-6-11/h1,10-11,13H,5-9H2,2-3H3.
What are the key properties of 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine?
1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine has a molecular weight of 192.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methylbut-3-yn-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 63999702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).