5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine

C11H19N3 — CID 89143467

IUPAC5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCCCCCCC1CN=C(N)N1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h1,10H,3-9H2,(H3,12,13,14)
InChIKeyFOVFUWRUDMNBPU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds6

About 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine

5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 89143467) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID89143467
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCCCCCCC1CN=C(N)N1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h1,10H,3-9H2,(H3,12,13,14)
InChIKeyFOVFUWRUDMNBPU-UHFFFAOYSA-N
XLogP1.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143527
5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143529
5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510691
5-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 70319974
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
CID 11119363
(3aS,4S,6aR)-4-hept-6-ynyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 70682298
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
(1R,4S)-7-pent-4-ynyl-2,3-diazabicyclo[2.2.1]heptane
CID 10535027
5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
CID 70187734

Frequently Asked Questions

What is the IUPAC name of 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 89143467) is 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCCCCCCC1CN=C(N)N1.
What is the InChIKey of 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FOVFUWRUDMNBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-10-9-13-11(12)14-10/h1,10H,3-9H2,(H3,12,13,14).
What are the key properties of 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine?
5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 89143467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).