4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine

C12H18N4 — CID 139016896

IUPAC4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
SMILESCc1ccncc1CN=C1NC(C)C(C)N1
InChIInChI=1S/C12H18N4/c1-8-4-5-13-6-11(8)7-14-12-15-9(2)10(3)16-12/h4-6,9-10H,7H2,1-3H3,(H2,14,15,16)
InChIKeyDMAAEVYGDSZNFQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.22
Rot. Bonds2

About 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine

4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine (PubChem CID 139016896) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
PubChem CID139016896
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
SMILESCc1ccncc1CN=C1NC(C)C(C)N1
InChIInChI=1S/C12H18N4/c1-8-4-5-13-6-11(8)7-14-12-15-9(2)10(3)16-12/h4-6,9-10H,7H2,1-3H3,(H2,14,15,16)
InChIKeyDMAAEVYGDSZNFQ-UHFFFAOYSA-N
XLogP1.22
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
N-[(4-methyl-3-pyridinyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747365
4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
CID 136981181
3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
3-(cyclopropylmethyl)-4-methylpyridine;ethane
CID 166091587
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
4-methyl-3-(methylsulfanylmethyl)pyridine
CID 89105159
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine?
The IUPAC name of 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine (CID 139016896) is 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine?
The canonical SMILES for 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine is Cc1ccncc1CN=C1NC(C)C(C)N1.
What is the InChIKey of 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine?
The InChIKey is DMAAEVYGDSZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-4-5-13-6-11(8)7-14-12-15-9(2)10(3)16-12/h4-6,9-10H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine?
4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine has a molecular weight of 218.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine is sourced from PubChem (CID 139016896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).