1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine

C12H21FN6 — CID 118890855

IUPAC1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine
SMILESCC(F)/C=C\C(C)N(C)/N=N/CCn1ccnc1N
InChIInChI=1S/C12H21FN6/c1-10(13)4-5-11(2)18(3)17-16-7-9-19-8-6-15-12(19)14/h4-6,8,10-11H,7,9H2,1-3H3,(H2,14,15)/b5-4-,17-16+
InChIKeyRYRMGAYDNRKJQV-QWSSBTJSSA-N
MW268.34 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine

1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine (PubChem CID 118890855) has the molecular formula C12H21FN6 and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine
PubChem CID118890855
Molecular FormulaC12H21FN6
Molecular Weight268.34 g/mol
Exact Mass268.18
IUPAC Name1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine
SMILESCC(F)/C=C\C(C)N(C)/N=N/CCn1ccnc1N
InChIInChI=1S/C12H21FN6/c1-10(13)4-5-11(2)18(3)17-16-7-9-19-8-6-15-12(19)14/h4-6,8,10-11H,7,9H2,1-3H3,(H2,14,15)/b5-4-,17-16+
InChIKeyRYRMGAYDNRKJQV-QWSSBTJSSA-N
XLogP2.07
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine?
The IUPAC name of 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine (CID 118890855) is 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine.
What is the SMILES notation for 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine?
The canonical SMILES for 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine is CC(F)/C=C\C(C)N(C)/N=N/CCn1ccnc1N.
What is the InChIKey of 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine?
The InChIKey is RYRMGAYDNRKJQV-QWSSBTJSSA-N. The full InChI is InChI=1S/C12H21FN6/c1-10(13)4-5-11(2)18(3)17-16-7-9-19-8-6-15-12(19)14/h4-6,8,10-11H,7,9H2,1-3H3,(H2,14,15)/b5-4-,17-16+.
What are the key properties of 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine?
1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine has a molecular weight of 268.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[(Z)-5-fluorohex-3-en-2-yl]-methylamino]diazenyl]ethyl]imidazol-2-amine is sourced from PubChem (CID 118890855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).