N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine

C10H21N3 — CID 43121981

IUPACN,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine
SMILES[H]/N=C1\CCCN1CCN(CC)CC
InChIInChI=1S/C10H21N3/c1-3-12(4-2)8-9-13-7-5-6-10(13)11/h11H,3-9H2,1-2H3/b11-10+
InChIKeyOZYHKSXUPPHMKE-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.40
Rot. Bonds5

About N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine

N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine (PubChem CID 43121981) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine
PubChem CID43121981
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine
SMILES[H]/N=C1\CCCN1CCN(CC)CC
InChIInChI=1S/C10H21N3/c1-3-12(4-2)8-9-13-7-5-6-10(13)11/h11H,3-9H2,1-2H3/b11-10+
InChIKeyOZYHKSXUPPHMKE-ZHACJKMWSA-N
XLogP1.40
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.40
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 N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine (CID 43121981) is N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine is [H]/N=C1\CCCN1CCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine?
The InChIKey is OZYHKSXUPPHMKE-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-12(4-2)8-9-13-7-5-6-10(13)11/h11H,3-9H2,1-2H3/b11-10+.
What are the key properties of N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine?
N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-iminopyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 43121981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).