N-methyl-1-propylpyrrolidin-2-imine

C8H16N2 — CID 123525916

IUPACN-methyl-1-propylpyrrolidin-2-imine
SMILESCCCN1CCC/C1=N\C
InChIInChI=1S/C8H16N2/c1-3-6-10-7-4-5-8(10)9-2/h3-7H2,1-2H3/b9-8+
InChIKeyFRFJRVQJZJVEFI-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds2

About N-methyl-1-propylpyrrolidin-2-imine

N-methyl-1-propylpyrrolidin-2-imine (PubChem CID 123525916) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-1-propylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1-propylpyrrolidin-2-imine
PubChem CID123525916
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-1-propylpyrrolidin-2-imine
SMILESCCCN1CCC/C1=N\C
InChIInChI=1S/C8H16N2/c1-3-6-10-7-4-5-8(10)9-2/h3-7H2,1-2H3/b9-8+
InChIKeyFRFJRVQJZJVEFI-CMDGGOBGSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-1-propylpyrrolidin-2-imine?
The IUPAC name of N-methyl-1-propylpyrrolidin-2-imine (CID 123525916) is N-methyl-1-propylpyrrolidin-2-imine.
What is the SMILES notation for N-methyl-1-propylpyrrolidin-2-imine?
The canonical SMILES for N-methyl-1-propylpyrrolidin-2-imine is CCCN1CCC/C1=N\C.
What is the InChIKey of N-methyl-1-propylpyrrolidin-2-imine?
The InChIKey is FRFJRVQJZJVEFI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-6-10-7-4-5-8(10)9-2/h3-7H2,1-2H3/b9-8+.
What are the key properties of N-methyl-1-propylpyrrolidin-2-imine?
N-methyl-1-propylpyrrolidin-2-imine has a molecular weight of 140.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propylpyrrolidin-2-imine is sourced from PubChem (CID 123525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).