1-(3-ethoxypropyl)pyrrolidin-2-imine

C9H18N2O — CID 43121972

IUPAC1-(3-ethoxypropyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCOCC
InChIInChI=1S/C9H18N2O/c1-2-12-8-4-7-11-6-3-5-9(11)10/h10H,2-8H2,1H3/b10-9+
InChIKeyOTFSXFATDIJEAD-MDZDMXLPSA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-ethoxypropyl)pyrrolidin-2-imine

1-(3-ethoxypropyl)pyrrolidin-2-imine (PubChem CID 43121972) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)pyrrolidin-2-imine
PubChem CID43121972
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-ethoxypropyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCOCC
InChIInChI=1S/C9H18N2O/c1-2-12-8-4-7-11-6-3-5-9(11)10/h10H,2-8H2,1H3/b10-9+
InChIKeyOTFSXFATDIJEAD-MDZDMXLPSA-N
XLogP1.49
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
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'}

Analyze 1-(3-ethoxypropyl)pyrrolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-Difluoroethoxy)-1-pyrrolidin-1-ylpropan-1-imine
CID 103150906
1-Pyrrolidin-1-yl-3-(2,2,2-trifluoroethoxy)propan-1-imine
CID 103150907
3-Imino-3-pyrrolidin-1-yl-propionic acid ethyl ester
CID 12716945
1-(Methoxymethyl)pyrrolidin-2-imine
CID 18428600
1-(2-Methoxyethyl)pyrrolidin-2-imine
CID 43121979
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
1-(1-Methoxypropan-2-yl)pyrrolidin-2-imine
CID 43121919
1-(3-Methoxypropyl)pyrrolidin-2-imine
CID 43153304
1-(2-Ethoxyethyl)pyrrolidin-2-imine
CID 43591154
Ethyl 3-pyrrolidin-1-ylpropanimidate
CID 55265986

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)pyrrolidin-2-imine?
The IUPAC name of 1-(3-ethoxypropyl)pyrrolidin-2-imine (CID 43121972) is 1-(3-ethoxypropyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(3-ethoxypropyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(3-ethoxypropyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)pyrrolidin-2-imine?
The InChIKey is OTFSXFATDIJEAD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-12-8-4-7-11-6-3-5-9(11)10/h10H,2-8H2,1H3/b10-9+.
What are the key properties of 1-(3-ethoxypropyl)pyrrolidin-2-imine?
1-(3-ethoxypropyl)pyrrolidin-2-imine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)pyrrolidin-2-imine is sourced from PubChem (CID 43121972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).