N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide

C9H15N3 — CID 131036179

IUPACN'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ccc(C)n1C
InChIInChI=1S/C9H15N3/c1-7-4-5-9(12(7)3)6-11-8(2)10/h4-5H,6H2,1-3H3,(H2,10,11)
InChIKeyBPMXTBULETYVBX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.21
Rot. Bonds2

About N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide

N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide (PubChem CID 131036179) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide
PubChem CID131036179
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ccc(C)n1C
InChIInChI=1S/C9H15N3/c1-7-4-5-9(12(7)3)6-11-8(2)10/h4-5H,6H2,1-3H3,(H2,10,11)
InChIKeyBPMXTBULETYVBX-UHFFFAOYSA-N
XLogP1.21
TPSA43.31 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 ≤ 51.21
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'}

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Related Compounds

[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium
CID 6346859
N'-[(4-bromo-1-methylpyrrol-2-yl)methyl]ethanimidamide;hydroiodide
CID 130616591
2-(1,5-dimethylpyrrol-2-yl)acetic acid
CID 23460407
N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
1-tert-butyl-2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120602808
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
N'-[(2,3,4,6-tetramethylphenyl)methyl]ethanimidamide
CID 58152695
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
CID 122082218
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine
CID 120602824
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866
(2S)-2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 61156311

Frequently Asked Questions

What is the IUPAC name of N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide (CID 131036179) is N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide is C/C(N)=N\Cc1ccc(C)n1C.
What is the InChIKey of N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide?
The InChIKey is BPMXTBULETYVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-4-5-9(12(7)3)6-11-8(2)10/h4-5H,6H2,1-3H3,(H2,10,11).
What are the key properties of N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide?
N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,5-dimethylpyrrol-2-yl)methyl]ethanimidamide is sourced from PubChem (CID 131036179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).