1-(2-ethoxyethyl)pyrrolidin-2-imine

C8H16N2O — CID 43591154

IUPAC1-(2-ethoxyethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCOCC
InChIInChI=1S/C8H16N2O/c1-2-11-7-6-10-5-3-4-8(10)9/h9H,2-7H2,1H3/b9-8+
InChIKeyNUCHTJOXGJWBFX-CMDGGOBGSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-ethoxyethyl)pyrrolidin-2-imine

1-(2-ethoxyethyl)pyrrolidin-2-imine (PubChem CID 43591154) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrolidin-2-imine
PubChem CID43591154
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2-ethoxyethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCOCC
InChIInChI=1S/C8H16N2O/c1-2-11-7-6-10-5-3-4-8(10)9/h9H,2-7H2,1H3/b9-8+
InChIKeyNUCHTJOXGJWBFX-CMDGGOBGSA-N
XLogP1.10
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-Diethoxyethyl)pyrrolidin-2-imine;hydrochloride
CID 90654270
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-2-imine
CID 63827719
1-(2,2-Diethoxyethyl)pyrrolidin-2-imine
CID 90654271
1-[2-(2,2-Difluoroethoxy)ethyl]pyrrolidin-2-imine
CID 105912380
1-(3-Methoxypyrrolidin-1-yl)ethanimine
CID 18727527
1-(2-Methoxyethyl)pyrrolidin-2-imine
CID 43121979
Ethyl 2-pyrrolidin-1-ylethanimidate
CID 55267880
N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
CID 57640395
N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide
CID 58673095
1-Morpholin-4-ylbutan-1-imine
CID 62047580
N-(2-methoxyethyl)-N-methylpropanimidamide
CID 63177887
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-ethoxyethyl)pyrrolidin-2-imine (CID 43591154) is 1-(2-ethoxyethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrolidin-2-imine?
The InChIKey is NUCHTJOXGJWBFX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-11-7-6-10-5-3-4-8(10)9/h9H,2-7H2,1H3/b9-8+.
What are the key properties of 1-(2-ethoxyethyl)pyrrolidin-2-imine?
1-(2-ethoxyethyl)pyrrolidin-2-imine has a molecular weight of 156.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrolidin-2-imine is sourced from PubChem (CID 43591154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).