1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

C13H26IN5 — CID 111818001

IUPAC1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCC(C)Cn1ccnc1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C13H25N5.HI/c1-11(2)10-18-8-7-14-12(18)9-15-13(16(3)4)17(5)6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyADUVLLPZUALRQC-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.14
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111818001) has the molecular formula C13H26IN5 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID111818001
Molecular FormulaC13H26IN5
Molecular Weight379.29 g/mol
Exact Mass379.12
IUPAC Name1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCC(C)Cn1ccnc1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C13H25N5.HI/c1-11(2)10-18-8-7-14-12(18)9-15-13(16(3)4)17(5)6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyADUVLLPZUALRQC-UHFFFAOYSA-N
XLogP2.14
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775752
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817965
N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111818029
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472076
1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111818024
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111775325
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776909
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111772917

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 111818001) is 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is CC(C)Cn1ccnc1CN=C(N(C)C)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is ADUVLLPZUALRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5.HI/c1-11(2)10-18-8-7-14-12(18)9-15-13(16(3)4)17(5)6;/h7-8,11H,9-10H2,1-6H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 379.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111818001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).