4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine

C13H25N3O — CID 106578561

IUPAC4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCn1cc(C)nc1NC(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-17-9-6-7-16-10-12(4)15-13(16)14-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyCRFOXRMINVNNGH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.83
Rot. Bonds8

About 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine

4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine (PubChem CID 106578561) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
PubChem CID106578561
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCn1cc(C)nc1NC(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-17-9-6-7-16-10-12(4)15-13(16)14-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyCRFOXRMINVNNGH-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine (CID 106578561) is 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine is CCCOCCCn1cc(C)nc1NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine?
The InChIKey is CRFOXRMINVNNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-17-9-6-7-16-10-12(4)15-13(16)14-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine?
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).