N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine

C11H24N2O — CID 79741223

IUPACN-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCOCCNC1CCNC1
InChIInChI=1S/C11H24N2O/c1-10(2)4-7-14-8-6-13-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3
InChIKeyNRDVYYAXLDLHCP-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine

N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine (PubChem CID 79741223) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
PubChem CID79741223
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCOCCNC1CCNC1
InChIInChI=1S/C11H24N2O/c1-10(2)4-7-14-8-6-13-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3
InChIKeyNRDVYYAXLDLHCP-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine (CID 79741223) is N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine is CC(C)CCOCCNC1CCNC1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is NRDVYYAXLDLHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)4-7-14-8-6-13-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine?
N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 79741223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).