N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine

C13H24N2O — CID 103904997

IUPACN-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine
SMILESC=CCCOCCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-2-3-9-16-10-7-14-12-6-8-15(11-12)13-4-5-13/h2,12-14H,1,3-11H2
InChIKeyVMMVRBMFNMHDRT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine

N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine (PubChem CID 103904997) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine
PubChem CID103904997
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine
SMILESC=CCCOCCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-2-3-9-16-10-7-14-12-6-8-15(11-12)13-4-5-13/h2,12-14H,1,3-11H2
InChIKeyVMMVRBMFNMHDRT-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine (CID 103904997) is N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine is C=CCCOCCNC1CCN(C2CC2)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is VMMVRBMFNMHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-9-16-10-7-14-12-6-8-15(11-12)13-4-5-13/h2,12-14H,1,3-11H2.
What are the key properties of N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine?
N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 103904997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).