N-(2-but-3-enoxyethyl)pyrrolidin-3-amine

C10H20N2O — CID 106397200

IUPACN-(2-but-3-enoxyethyl)pyrrolidin-3-amine
SMILESC=CCCOCCNC1CCNC1
InChIInChI=1S/C10H20N2O/c1-2-3-7-13-8-6-12-10-4-5-11-9-10/h2,10-12H,1,3-9H2
InChIKeyAKWLWAJOXKXBQR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.53
Rot. Bonds7

About N-(2-but-3-enoxyethyl)pyrrolidin-3-amine

N-(2-but-3-enoxyethyl)pyrrolidin-3-amine (PubChem CID 106397200) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)pyrrolidin-3-amine
PubChem CID106397200
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(2-but-3-enoxyethyl)pyrrolidin-3-amine
SMILESC=CCCOCCNC1CCNC1
InChIInChI=1S/C10H20N2O/c1-2-3-7-13-8-6-12-10-4-5-11-9-10/h2,10-12H,1,3-9H2
InChIKeyAKWLWAJOXKXBQR-UHFFFAOYSA-N
XLogP0.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
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)pyrrolidin-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)pyrrolidin-3-amine (CID 106397200) is N-(2-but-3-enoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)pyrrolidin-3-amine is C=CCCOCCNC1CCNC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)pyrrolidin-3-amine?
The InChIKey is AKWLWAJOXKXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-7-13-8-6-12-10-4-5-11-9-10/h2,10-12H,1,3-9H2.
What are the key properties of N-(2-but-3-enoxyethyl)pyrrolidin-3-amine?
N-(2-but-3-enoxyethyl)pyrrolidin-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 106397200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).