3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine

C12H22N2 — CID 148748740

IUPAC3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine
SMILESC/N=C(\C)C(C)(C)C1=CCC(C)N1C
InChIInChI=1S/C12H22N2/c1-9-7-8-11(14(9)6)12(3,4)10(2)13-5/h8-9H,7H2,1-6H3/b13-10+
InChIKeyOEGNVBAOAYWONN-JLHYYAGUSA-N
MW194.32 g/mol
LogP2.71
Rot. Bonds2

About 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine

3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine (PubChem CID 148748740) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine
PubChem CID148748740
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine
SMILESC/N=C(\C)C(C)(C)C1=CCC(C)N1C
InChIInChI=1S/C12H22N2/c1-9-7-8-11(14(9)6)12(3,4)10(2)13-5/h8-9H,7H2,1-6H3/b13-10+
InChIKeyOEGNVBAOAYWONN-JLHYYAGUSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
CID 59782158
1,3,3-Trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
CID 59941725
N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
CID 72560385

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine?
The IUPAC name of 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine (CID 148748740) is 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine.
What is the SMILES notation for 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine?
The canonical SMILES for 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine is C/N=C(\C)C(C)(C)C1=CCC(C)N1C.
What is the InChIKey of 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine?
The InChIKey is OEGNVBAOAYWONN-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-7-8-11(14(9)6)12(3,4)10(2)13-5/h8-9H,7H2,1-6H3/b13-10+.
What are the key properties of 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine?
3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethyl-2,3-dihydropyrrol-5-yl)-N,3-dimethylbutan-2-imine is sourced from PubChem (CID 148748740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).