N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine

C11H24N2O — CID 116502156

IUPACN-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
SMILESCCN(CC(C)COC)C1CCNC1
InChIInChI=1S/C11H24N2O/c1-4-13(8-10(2)9-14-3)11-5-6-12-7-11/h10-12H,4-9H2,1-3H3
InChIKeyAMAKUKIJOKYNMU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds6

About N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine

N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine (PubChem CID 116502156) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
PubChem CID116502156
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
SMILESCCN(CC(C)COC)C1CCNC1
InChIInChI=1S/C11H24N2O/c1-4-13(8-10(2)9-14-3)11-5-6-12-7-11/h10-12H,4-9H2,1-3H3
InChIKeyAMAKUKIJOKYNMU-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine (CID 116502156) is N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine is CCN(CC(C)COC)C1CCNC1.
What is the InChIKey of N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is AMAKUKIJOKYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13(8-10(2)9-14-3)11-5-6-12-7-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine?
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 116502156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).