2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide

C13H26IN3 — CID 119120722

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC1CC2CCC1C2.I
InChIInChI=1S/C13H25N3.HI/c1-13(2,3)16-12(14)15-8-11-7-9-4-5-10(11)6-9;/h9-11H,4-8H2,1-3H3,(H3,14,15,16);1H
InChIKeyNJQJQJQMFYQKJT-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide

2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide (PubChem CID 119120722) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
PubChem CID119120722
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC1CC2CCC1C2.I
InChIInChI=1S/C13H25N3.HI/c1-13(2,3)16-12(14)15-8-11-7-9-4-5-10(11)6-9;/h9-11H,4-8H2,1-3H3,(H3,14,15,16);1H
InChIKeyNJQJQJQMFYQKJT-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
CID 122098987
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 106136629
1-tert-butyl-2-[(3-methoxyoxan-4-yl)methyl]guanidine
CID 122097402
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
CID 22894534
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 119120737
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
CID 116515206
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
CID 161284558
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556522
N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide
CID 53464032
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide (CID 119120722) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide is CC(C)(C)N/C(N)=N/CC1CC2CCC1C2.I.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide?
The InChIKey is NJQJQJQMFYQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-13(2,3)16-12(14)15-8-11-7-9-4-5-10(11)6-9;/h9-11H,4-8H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide?
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide is sourced from PubChem (CID 119120722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).