1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine

C11H21N3 — CID 43121955

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCCN1CC
InChIInChI=1S/C11H21N3/c1-2-13-7-3-5-10(13)9-14-8-4-6-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyUKIBDCZSIWWHRN-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds3

About 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine

1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine (PubChem CID 43121955) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine
PubChem CID43121955
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCCN1CC
InChIInChI=1S/C11H21N3/c1-2-13-7-3-5-10(13)9-14-8-4-6-11(14)12/h10,12H,2-9H2,1H3/b12-11+
InChIKeyUKIBDCZSIWWHRN-VAWYXSNFSA-N
XLogP1.54
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine (CID 43121955) is 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1CCCN1CC.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine?
The InChIKey is UKIBDCZSIWWHRN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-13-7-3-5-10(13)9-14-8-4-6-11(14)12/h10,12H,2-9H2,1H3/b12-11+.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine?
1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine has a molecular weight of 195.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 43121955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).