1-(3-methoxypyrrolidin-1-yl)propan-1-imine

C8H16N2O — CID 103540480

IUPAC1-(3-methoxypyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O/c1-3-8(9)10-5-4-7(6-10)11-2/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyPJYQGTDGYBHBFX-CMDGGOBGSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds2

About 1-(3-methoxypyrrolidin-1-yl)propan-1-imine

1-(3-methoxypyrrolidin-1-yl)propan-1-imine (PubChem CID 103540480) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)propan-1-imine
PubChem CID103540480
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3-methoxypyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O/c1-3-8(9)10-5-4-7(6-10)11-2/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyPJYQGTDGYBHBFX-CMDGGOBGSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxypyrrolidin-1-yl)ethanimine
CID 18727527
1-(2-Methoxyethyl)pyrrolidin-2-imine
CID 43121979
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
Ethane;1-ethanimidoylpyrrolidin-3-ol
CID 145296457
1-Butanimidoylpyrrolidin-3-ol
CID 163544855
1-[3-[(2-Methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine
CID 20765496
1-(1-Methoxypropan-2-yl)pyrrolidin-2-imine
CID 43121919
1-(3-Ethoxypropyl)pyrrolidin-2-imine
CID 43121972
1-(3-Methoxypropyl)pyrrolidin-2-imine
CID 43153304
1-(2-Ethoxyethyl)pyrrolidin-2-imine
CID 43591154
1-(1,4-Dioxan-2-ylmethyl)pyrrolidin-2-imine
CID 61024989

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)propan-1-imine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)propan-1-imine (CID 103540480) is 1-(3-methoxypyrrolidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCC(OC)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)propan-1-imine?
The InChIKey is PJYQGTDGYBHBFX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(9)10-5-4-7(6-10)11-2/h7,9H,3-6H2,1-2H3/b9-8+.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)propan-1-imine?
1-(3-methoxypyrrolidin-1-yl)propan-1-imine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)propan-1-imine is sourced from PubChem (CID 103540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).