N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine

C11H20N2O — CID 64582811

IUPACN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCC(COC)C1
InChIInChI=1S/C11H20N2O/c1-3-5-12-6-8-13-7-4-11(9-13)10-14-2/h1,11-12H,4-10H2,2H3
InChIKeyYBKUNQZOPQHZAB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.18
Rot. Bonds6

About N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine

N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine (PubChem CID 64582811) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
PubChem CID64582811
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCC(COC)C1
InChIInChI=1S/C11H20N2O/c1-3-5-12-6-8-13-7-4-11(9-13)10-14-2/h1,11-12H,4-10H2,2H3
InChIKeyYBKUNQZOPQHZAB-UHFFFAOYSA-N
XLogP0.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine (CID 64582811) is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine is C#CCNCCN1CCC(COC)C1.
What is the InChIKey of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine?
The InChIKey is YBKUNQZOPQHZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-12-6-8-13-7-4-11(9-13)10-14-2/h1,11-12H,4-10H2,2H3.
What are the key properties of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine?
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 64582811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).