1-(1-methoxypropan-2-yl)pyrrolidin-2-imine

C8H16N2O — CID 43121919

IUPAC1-(1-methoxypropan-2-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)COC
InChIInChI=1S/C8H16N2O/c1-7(6-11-2)10-5-3-4-8(10)9/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyPWSALUHKFRHTBC-CMDGGOBGSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine

1-(1-methoxypropan-2-yl)pyrrolidin-2-imine (PubChem CID 43121919) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)pyrrolidin-2-imine
PubChem CID43121919
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1-methoxypropan-2-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)COC
InChIInChI=1S/C8H16N2O/c1-7(6-11-2)10-5-3-4-8(10)9/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyPWSALUHKFRHTBC-CMDGGOBGSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

1-(2-Methoxyethyl)pyrrolidin-2-imine
CID 43121979
N-(2-methoxyethyl)-N-methylpropanimidamide
CID 63177887
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide
CID 139527717
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
N-[(2R)-1-methoxypropan-2-yl]-N-methylpropanimidamide
CID 163466777
1-(3-Ethoxypropyl)pyrrolidin-2-imine
CID 43121972
1-(3-Methoxypropyl)pyrrolidin-2-imine
CID 43153304
1-(3-Morpholin-4-ylpropyl)pyrrolidin-2-imine
CID 43348237
1-(2-Ethoxyethyl)pyrrolidin-2-imine
CID 43591154
3-[2-Methoxyethyl(methyl)amino]butanimidamide
CID 61427153

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine (CID 43121919) is 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine?
The InChIKey is PWSALUHKFRHTBC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(6-11-2)10-5-3-4-8(10)9/h7,9H,3-6H2,1-2H3/b9-8+.
What are the key properties of 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine?
1-(1-methoxypropan-2-yl)pyrrolidin-2-imine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)pyrrolidin-2-imine is sourced from PubChem (CID 43121919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).