1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine

C10H20N2 — CID 127015329

IUPAC1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)CC1(C)C
InChIInChI=1S/C10H20N2/c1-5-9(11)12-7-8(2)6-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyURIDMUSYBCDCJJ-PKNBQFBNSA-N
MW168.28 g/mol
LogP2.49
Rot. Bonds1

About 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine

1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine (PubChem CID 127015329) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine
PubChem CID127015329
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)CC1(C)C
InChIInChI=1S/C10H20N2/c1-5-9(11)12-7-8(2)6-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyURIDMUSYBCDCJJ-PKNBQFBNSA-N
XLogP2.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine?
The IUPAC name of 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine (CID 127015329) is 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine is [H]/N=C(\CC)N1CC(C)CC1(C)C.
What is the InChIKey of 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine?
The InChIKey is URIDMUSYBCDCJJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-9(11)12-7-8(2)6-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine?
1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-imine is sourced from PubChem (CID 127015329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).