N-methyl-1-octan-2-ylimidazol-2-amine

C12H23N3 — CID 106564926

IUPACN-methyl-1-octan-2-ylimidazol-2-amine
SMILESCCCCCCC(C)n1ccnc1NC
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(2)15-10-9-14-12(15)13-3/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyPZFUVMZCRXNWCB-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.46
Rot. Bonds7

About N-methyl-1-octan-2-ylimidazol-2-amine

N-methyl-1-octan-2-ylimidazol-2-amine (PubChem CID 106564926) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-methyl-1-octan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-octan-2-ylimidazol-2-amine
PubChem CID106564926
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-methyl-1-octan-2-ylimidazol-2-amine
SMILESCCCCCCC(C)n1ccnc1NC
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(2)15-10-9-14-12(15)13-3/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyPZFUVMZCRXNWCB-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536
1-nonadecan-2-yl-2-triacontan-12-ylimidazole
CID 69403792
1-pentadecan-2-yl-2-tetratriacontan-17-ylimidazole
CID 69406632

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-octan-2-ylimidazol-2-amine?
The IUPAC name of N-methyl-1-octan-2-ylimidazol-2-amine (CID 106564926) is N-methyl-1-octan-2-ylimidazol-2-amine.
What is the SMILES notation for N-methyl-1-octan-2-ylimidazol-2-amine?
The canonical SMILES for N-methyl-1-octan-2-ylimidazol-2-amine is CCCCCCC(C)n1ccnc1NC.
What is the InChIKey of N-methyl-1-octan-2-ylimidazol-2-amine?
The InChIKey is PZFUVMZCRXNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-11(2)15-10-9-14-12(15)13-3/h9-11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-1-octan-2-ylimidazol-2-amine?
N-methyl-1-octan-2-ylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-octan-2-ylimidazol-2-amine is sourced from PubChem (CID 106564926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).