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

C7H12N2 — CID 21131855

IUPACN,1,5-trimethyl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(C)N1C
InChIInChI=1S/C7H12N2/c1-6-4-5-7(8-2)9(6)3/h4H,5H2,1-3H3/b8-7+
InChIKeyIBQOYYRHZBDGRV-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

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

N,1,5-trimethyl-3H-pyrrol-2-imine (PubChem CID 21131855) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,1,5-trimethyl-3H-pyrrol-2-imine.

Molecular Properties

Compound NameN,1,5-trimethyl-3H-pyrrol-2-imine
PubChem CID21131855
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,1,5-trimethyl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=C(C)N1C
InChIInChI=1S/C7H12N2/c1-6-4-5-7(8-2)9(6)3/h4H,5H2,1-3H3/b8-7+
InChIKeyIBQOYYRHZBDGRV-BQYQJAHWSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
1-[2-(1,5-Dimethyl-2,3-dihydropyrrol-1-ium-1-yl)ethyl]-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 59960083
N,5-dimethyl-1,3-dihydropyrrol-2-imine
CID 136037612
N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
CID 154091731
N,N'-dimethyl-N-[(E)-pent-2-en-2-yl]ethanimidamide
CID 155004849
N,N-diethyl-6-methyl-3,4-dihydropyridin-2-amine
CID 156227017
N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
CID 166814571
N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 167083154
1,2,5-Triethyl-1,4-dimethylimidazol-1-ium
CID 175255699

Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-3H-pyrrol-2-imine?
The IUPAC name of N,1,5-trimethyl-3H-pyrrol-2-imine (CID 21131855) is N,1,5-trimethyl-3H-pyrrol-2-imine.
What is the SMILES notation for N,1,5-trimethyl-3H-pyrrol-2-imine?
The canonical SMILES for N,1,5-trimethyl-3H-pyrrol-2-imine is C/N=C1\CC=C(C)N1C.
What is the InChIKey of N,1,5-trimethyl-3H-pyrrol-2-imine?
The InChIKey is IBQOYYRHZBDGRV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-5-7(8-2)9(6)3/h4H,5H2,1-3H3/b8-7+.
What are the key properties of N,1,5-trimethyl-3H-pyrrol-2-imine?
N,1,5-trimethyl-3H-pyrrol-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-3H-pyrrol-2-imine is sourced from PubChem (CID 21131855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).