2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine

C14H25N5 — CID 10332982

IUPAC2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCc1cnc[nH]1
InChIInChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)
InChIKeyWMFPMYMVNGZFBC-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.83
Rot. Bonds6

About 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine

2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 10332982) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID10332982
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCc1cnc[nH]1
InChIInChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)
InChIKeyWMFPMYMVNGZFBC-UHFFFAOYSA-N
XLogP1.83
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Thioperamide
CID 3035905
Burimamide
CID 3032915
Cipralisant
CID 6450823
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-4-pentanamine
CID 9793868
4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
CID 9794398
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine
CID 10154137
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
CID 10219888

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine (CID 10332982) is 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CC1CCCCC1)NCCCc1cnc[nH]1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is WMFPMYMVNGZFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18).
What are the key properties of 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine?
2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 263.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 10332982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).