N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide

C9H15N3 — CID 143478640

IUPACN-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide
SMILESC=N/C=N/C1=C(C)CNC1(C)C
InChIInChI=1S/C9H15N3/c1-7-5-12-9(2,3)8(7)11-6-10-4/h6,12H,4-5H2,1-3H3/b11-6+
InChIKeyFVRMYYSTZWVIEU-IZZDOVSWSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds2

About N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide

N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide (PubChem CID 143478640) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide
PubChem CID143478640
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide
SMILESC=N/C=N/C1=C(C)CNC1(C)C
InChIInChI=1S/C9H15N3/c1-7-5-12-9(2,3)8(7)11-6-10-4/h6,12H,4-5H2,1-3H3/b11-6+
InChIKeyFVRMYYSTZWVIEU-IZZDOVSWSA-N
XLogP1.37
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide 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-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide
CID 143563701
3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride
CID 53444421
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
1,1,6-trimethyl-2,3-dihydroisoquinolin-4-one
CID 123720628
1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
CID 68633294
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068846
3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
CID 79260717
6,6-dimethyl-5-methylidenepiperazin-2-one
CID 89200658
2,2,4-trimethyl-1,5-dihydroimidazole
CID 10630458
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine
CID 175635372
N'-(ethylideneamino)-N-methylidenemethanimidamide
CID 123725112

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide?
The IUPAC name of N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide (CID 143478640) is N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide?
The canonical SMILES for N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide is C=N/C=N/C1=C(C)CNC1(C)C.
What is the InChIKey of N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide?
The InChIKey is FVRMYYSTZWVIEU-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-5-12-9(2,3)8(7)11-6-10-4/h6,12H,4-5H2,1-3H3/b11-6+.
What are the key properties of N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide?
N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide is sourced from PubChem (CID 143478640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).