N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene

C19H33N3 — CID 143513207

IUPACN-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene
SMILESCCC.CCNCCCn1cnc(C)c1.Cc1ccccc1
InChIInChI=1S/C9H17N3.C7H8.C3H8/c1-3-10-5-4-6-12-7-9(2)11-8-12;1-7-5-3-2-4-6-7;1-3-2/h7-8,10H,3-6H2,1-2H3;2-6H,1H3;3H2,1-2H3
InChIKeyASQVFAGHSDVWCI-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.60
Rot. Bonds5

About N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene

N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene (PubChem CID 143513207) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene.

Molecular Properties

Compound NameN-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene
PubChem CID143513207
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene
SMILESCCC.CCNCCCn1cnc(C)c1.Cc1ccccc1
InChIInChI=1S/C9H17N3.C7H8.C3H8/c1-3-10-5-4-6-12-7-9(2)11-8-12;1-7-5-3-2-4-6-7;1-3-2/h7-8,10H,3-6H2,1-2H3;2-6H,1H3;3H2,1-2H3
InChIKeyASQVFAGHSDVWCI-UHFFFAOYSA-N
XLogP4.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene?
The IUPAC name of N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene (CID 143513207) is N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene.
What is the SMILES notation for N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene?
The canonical SMILES for N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene is CCC.CCNCCCn1cnc(C)c1.Cc1ccccc1.
What is the InChIKey of N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene?
The InChIKey is ASQVFAGHSDVWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C7H8.C3H8/c1-3-10-5-4-6-12-7-9(2)11-8-12;1-7-5-3-2-4-6-7;1-3-2/h7-8,10H,3-6H2,1-2H3;2-6H,1H3;3H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene?
N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene has a molecular weight of 303.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylimidazol-1-yl)propan-1-amine;propane;toluene is sourced from PubChem (CID 143513207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).