5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine

C7H14N6 — CID 79510061

IUPAC5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CN=[N+]=[N-]
InChIInChI=1S/C7H14N6/c1-2-3-13-6(5-11-12-9)4-10-7(13)8/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyZWQDNHUTLGNHQB-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.71
Rot. Bonds4

About 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine

5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510061) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID79510061
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CN=[N+]=[N-]
InChIInChI=1S/C7H14N6/c1-2-3-13-6(5-11-12-9)4-10-7(13)8/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyZWQDNHUTLGNHQB-UHFFFAOYSA-N
XLogP0.71
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 14396516
Preguanitoxin
CID 172879943
1,5-Dimethyl-4,5-dihydroimidazol-2-amine
CID 21054624
1-Propan-2-yl-4,5-dihydroimidazol-2-amine
CID 21054626
1H-Imidazol-2-amine,4,5-dihydro-1-propyl-
CID 45078762
1-Butan-2-yl-4,5-dihydroimidazol-2-amine
CID 45087867
1-Isopropyl-4,5-dihydro-1H-imidazol-2-amine hydrobromide
CID 69026805
5-Ethyl-1-methyl-4,5-dihydroimidazol-2-amine
CID 79498376
1,4-Dimethyl-4,5-dihydroimidazol-2-amine
CID 154143742
2-Azido-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 166963073
(5R)-1,5-dimethyl-4,5-dihydroimidazol-2-amine
CID 170592572
(5R)-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 14396517

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine (CID 79510061) is 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1CN=[N+]=[N-].
What is the InChIKey of 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZWQDNHUTLGNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-2-3-13-6(5-11-12-9)4-10-7(13)8/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).