N,3,3,5-tetramethyl-1H-pyrrol-2-imine

C8H14N2 — CID 137219259

IUPACN,3,3,5-tetramethyl-1H-pyrrol-2-imine
SMILESC/N=C1\NC(C)=CC1(C)C
InChIInChI=1S/C8H14N2/c1-6-5-8(2,3)7(9-4)10-6/h5H,1-4H3,(H,9,10)
InChIKeyBOITUCPLZUMDTJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.55
Rot. Bonds

About N,3,3,5-tetramethyl-1H-pyrrol-2-imine

N,3,3,5-tetramethyl-1H-pyrrol-2-imine (PubChem CID 137219259) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,3,3,5-tetramethyl-1H-pyrrol-2-imine.

Molecular Properties

Compound NameN,3,3,5-tetramethyl-1H-pyrrol-2-imine
PubChem CID137219259
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,3,3,5-tetramethyl-1H-pyrrol-2-imine
SMILESC/N=C1\NC(C)=CC1(C)C
InChIInChI=1S/C8H14N2/c1-6-5-8(2,3)7(9-4)10-6/h5H,1-4H3,(H,9,10)
InChIKeyBOITUCPLZUMDTJ-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3,3,5-tetramethyl-1H-pyrrol-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

N',2,2-trimethyl-N-[(Z)-5,5,5-trifluoropent-2-en-2-yl]propanimidamide
CID 141872699
6-Tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 91449481
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
N,4,4,6-tetramethyl-1,3-dihydropyridin-2-imine
CID 135601357
N,5-dimethyl-1,3-dihydropyrrol-2-imine
CID 136037612
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 137291304
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
N-[(2E,4E)-2-amino-5-methylhepta-2,4-dien-4-yl]-N',2,2-trimethylpropanimidamide
CID 144115549
(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine
CID 166762406
N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine
CID 167067973

Frequently Asked Questions

What is the IUPAC name of N,3,3,5-tetramethyl-1H-pyrrol-2-imine?
The IUPAC name of N,3,3,5-tetramethyl-1H-pyrrol-2-imine (CID 137219259) is N,3,3,5-tetramethyl-1H-pyrrol-2-imine.
What is the SMILES notation for N,3,3,5-tetramethyl-1H-pyrrol-2-imine?
The canonical SMILES for N,3,3,5-tetramethyl-1H-pyrrol-2-imine is C/N=C1\NC(C)=CC1(C)C.
What is the InChIKey of N,3,3,5-tetramethyl-1H-pyrrol-2-imine?
The InChIKey is BOITUCPLZUMDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-8(2,3)7(9-4)10-6/h5H,1-4H3,(H,9,10).
What are the key properties of N,3,3,5-tetramethyl-1H-pyrrol-2-imine?
N,3,3,5-tetramethyl-1H-pyrrol-2-imine has a molecular weight of 138.21 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,5-tetramethyl-1H-pyrrol-2-imine is sourced from PubChem (CID 137219259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).