1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine

C11H22N2 — CID 156794656

IUPAC1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine
SMILESC=C1C(N(C)CCC)CCN1CC
InChIInChI=1S/C11H22N2/c1-5-8-12(4)11-7-9-13(6-2)10(11)3/h11H,3,5-9H2,1-2,4H3
InChIKeyAOLYBTVKBNWBIC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.94
Rot. Bonds4

About 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine

1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine (PubChem CID 156794656) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine
PubChem CID156794656
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine
SMILESC=C1C(N(C)CCC)CCN1CC
InChIInChI=1S/C11H22N2/c1-5-8-12(4)11-7-9-13(6-2)10(11)3/h11H,3,5-9H2,1-2,4H3
InChIKeyAOLYBTVKBNWBIC-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine (CID 156794656) is 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine is C=C1C(N(C)CCC)CCN1CC.
What is the InChIKey of 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine?
The InChIKey is AOLYBTVKBNWBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-8-12(4)11-7-9-13(6-2)10(11)3/h11H,3,5-9H2,1-2,4H3.
What are the key properties of 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine?
1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2-methylidene-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 156794656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).