1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine

C11H22N6 — CID 116514693

IUPAC1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
SMILESCCCC/N=C(\NN)NCCc1nccn1C
InChIInChI=1S/C11H22N6/c1-3-4-6-14-11(16-12)15-7-5-10-13-8-9-17(10)2/h8-9H,3-7,12H2,1-2H3,(H2,14,15,16)
InChIKeyFCXFHTPNDRQLPB-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.17
Rot. Bonds6

About 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine

1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine (PubChem CID 116514693) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
PubChem CID116514693
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
SMILESCCCC/N=C(\NN)NCCc1nccn1C
InChIInChI=1S/C11H22N6/c1-3-4-6-14-11(16-12)15-7-5-10-13-8-9-17(10)2/h8-9H,3-7,12H2,1-2H3,(H2,14,15,16)
InChIKeyFCXFHTPNDRQLPB-UHFFFAOYSA-N
XLogP0.17
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine
CID 116515322
1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
CID 116508135
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
1-amino-3-butyl-2-[3-(1H-imidazol-2-yl)propyl]guanidine
CID 116516477
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 106106955
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
CID 63177420
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-amino-2-butyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262764

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine (CID 116514693) is 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine is CCCC/N=C(\NN)NCCc1nccn1C.
What is the InChIKey of 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The InChIKey is FCXFHTPNDRQLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-4-6-14-11(16-12)15-7-5-10-13-8-9-17(10)2/h8-9H,3-7,12H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine has a molecular weight of 238.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 116514693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).