N-methyl-1-propan-2-ylpyrrolidin-3-imine

C8H16N2 — CID 129120591

IUPACN-methyl-1-propan-2-ylpyrrolidin-3-imine
SMILESC/N=C1\CCN(C(C)C)C1
InChIInChI=1S/C8H16N2/c1-7(2)10-5-4-8(6-10)9-3/h7H,4-6H2,1-3H3/b9-8+
InChIKeyJCGCVNKERNGJHN-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.17
Rot. Bonds1

About N-methyl-1-propan-2-ylpyrrolidin-3-imine

N-methyl-1-propan-2-ylpyrrolidin-3-imine (PubChem CID 129120591) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylpyrrolidin-3-imine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylpyrrolidin-3-imine
PubChem CID129120591
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-1-propan-2-ylpyrrolidin-3-imine
SMILESC/N=C1\CCN(C(C)C)C1
InChIInChI=1S/C8H16N2/c1-7(2)10-5-4-8(6-10)9-3/h7H,4-6H2,1-3H3/b9-8+
InChIKeyJCGCVNKERNGJHN-CMDGGOBGSA-N
XLogP1.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-ylpyrrolidin-3-imine?
The IUPAC name of N-methyl-1-propan-2-ylpyrrolidin-3-imine (CID 129120591) is N-methyl-1-propan-2-ylpyrrolidin-3-imine.
What is the SMILES notation for N-methyl-1-propan-2-ylpyrrolidin-3-imine?
The canonical SMILES for N-methyl-1-propan-2-ylpyrrolidin-3-imine is C/N=C1\CCN(C(C)C)C1.
What is the InChIKey of N-methyl-1-propan-2-ylpyrrolidin-3-imine?
The InChIKey is JCGCVNKERNGJHN-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10-5-4-8(6-10)9-3/h7H,4-6H2,1-3H3/b9-8+.
What are the key properties of N-methyl-1-propan-2-ylpyrrolidin-3-imine?
N-methyl-1-propan-2-ylpyrrolidin-3-imine has a molecular weight of 140.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylpyrrolidin-3-imine is sourced from PubChem (CID 129120591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).