5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C11H23N3 — CID 79498006

IUPAC5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCCCCC1CN=C(N)N1C(C)C
InChIInChI=1S/C11H23N3/c1-4-5-6-7-10-8-13-11(12)14(10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyFUWWIIAOMDOZCH-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.97
Rot. Bonds5

About 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine

5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79498006) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79498006
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCCCCC1CN=C(N)N1C(C)C
InChIInChI=1S/C11H23N3/c1-4-5-6-7-10-8-13-11(12)14(10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyFUWWIIAOMDOZCH-UHFFFAOYSA-N
XLogP1.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.97
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 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79498006) is 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CCCCCC1CN=C(N)N1C(C)C.
What is the InChIKey of 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is FUWWIIAOMDOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-5-6-7-10-8-13-11(12)14(10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).