ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine

C10H17N3 — CID 143572314

IUPACethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
SMILESC=Nc1[nH]cc(C)c1/C=N/C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-6-4-11-8(10-3)7(6)5-9-2;1-2/h4-5,11H,3H2,1-2H3;1-2H3/b9-5+;
InChIKeyMOAGWBKEAZHPOV-SZKNIZGXSA-N
MW179.27 g/mol
LogP2.73
Rot. Bonds2

About ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine

ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine (PubChem CID 143572314) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
PubChem CID143572314
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
SMILESC=Nc1[nH]cc(C)c1/C=N/C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-6-4-11-8(10-3)7(6)5-9-2;1-2/h4-5,11H,3H2,1-2H3;1-2H3/b9-5+;
InChIKeyMOAGWBKEAZHPOV-SZKNIZGXSA-N
XLogP2.73
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine 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-[3-(1-bromoethenyl)-4-methyl-1H-pyrrol-2-yl]methanimine;ethane
CID 170614255
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
CID 166528890
2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol
CID 129189262
N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
CID 143838717
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
3,4-dimethyl-2-prop-2-enyl-1H-pyrrole
CID 174480670
3-[(E)-2-amino-2-chloroethenyl]-4-methyl-1H-pyrrol-2-amine;ethane
CID 170705083
ethane;2,3,4-trimethyl-1H-pyrrole
CID 54386000
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole
CID 89404741

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine?
The IUPAC name of ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine (CID 143572314) is ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine.
What is the SMILES notation for ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine?
The canonical SMILES for ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine is C=Nc1[nH]cc(C)c1/C=N/C.CC.
What is the InChIKey of ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine?
The InChIKey is MOAGWBKEAZHPOV-SZKNIZGXSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-6-4-11-8(10-3)7(6)5-9-2;1-2/h4-5,11H,3H2,1-2H3;1-2H3/b9-5+;.
What are the key properties of ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine?
ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine has a molecular weight of 179.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine is sourced from PubChem (CID 143572314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).