1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine

C9H14N6 — CID 10058807

IUPAC1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
SMILESC/N=C(\NC#N)NCCCc1cnc[nH]1
InChIInChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyCXTGREPICTYOGB-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.01
Rot. Bonds4

About 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine

1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine (PubChem CID 10058807) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
PubChem CID10058807
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
SMILESC/N=C(\NC#N)NCCCc1cnc[nH]1
InChIInChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyCXTGREPICTYOGB-UHFFFAOYSA-N
XLogP-0.01
TPSA88.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
Burimamide
CID 3032915
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Cipralisant
CID 6450823
Histamine Hydrochloride
CID 120160
Impromidine
CID 41376
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The IUPAC name of 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine (CID 10058807) is 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The canonical SMILES for 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine is C/N=C(\NC#N)NCCCc1cnc[nH]1.
What is the InChIKey of 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The InChIKey is CXTGREPICTYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14).
What are the key properties of 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine has a molecular weight of 206.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine is sourced from PubChem (CID 10058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).