N-pentyl-4,5-dihydro-1H-imidazol-2-amine

C8H17N3 — CID 68575135

IUPACN-pentyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCNC1=NCCN1
InChIInChI=1S/C8H17N3/c1-2-3-4-5-9-8-10-6-7-11-8/h2-7H2,1H3,(H2,9,10,11)
InChIKeyOQIOPNMXGHTBJR-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.73
Rot. Bonds4

About N-pentyl-4,5-dihydro-1H-imidazol-2-amine

N-pentyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 68575135) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-pentyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-pentyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID68575135
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-pentyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCNC1=NCCN1
InChIInChI=1S/C8H17N3/c1-2-3-4-5-9-8-10-6-7-11-8/h2-7H2,1H3,(H2,9,10,11)
InChIKeyOQIOPNMXGHTBJR-UHFFFAOYSA-N
XLogP0.73
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-pentyl-4,5-dihydro-1H-imidazol-2-amine (CID 68575135) is N-pentyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-pentyl-4,5-dihydro-1H-imidazol-2-amine is CCCCCNC1=NCCN1.
What is the InChIKey of N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OQIOPNMXGHTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-3-4-5-9-8-10-6-7-11-8/h2-7H2,1H3,(H2,9,10,11).
What are the key properties of N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
N-pentyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 155.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 68575135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).