1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine

C10H20N2 — CID 126993867

IUPAC1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(CC(C)C)C1
InChIInChI=1S/C10H20N2/c1-8(2)6-10-4-5-12(7-10)9(3)11/h8,10-11H,4-7H2,1-3H3/b11-9+
InChIKeyJLBBKTANTIRYEF-PKNBQFBNSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds2

About 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine

1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine (PubChem CID 126993867) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine
PubChem CID126993867
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(CC(C)C)C1
InChIInChI=1S/C10H20N2/c1-8(2)6-10-4-5-12(7-10)9(3)11/h8,10-11H,4-7H2,1-3H3/b11-9+
InChIKeyJLBBKTANTIRYEF-PKNBQFBNSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
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'}

Analyze 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine (CID 126993867) is 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(CC(C)C)C1.
What is the InChIKey of 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is JLBBKTANTIRYEF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-10-4-5-12(7-10)9(3)11/h8,10-11H,4-7H2,1-3H3/b11-9+.
What are the key properties of 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine?
1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 126993867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).