2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide

C12H22IN3 — CID 120666045

IUPAC2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C12H21N3.HI/c13-12(14-7-8-2-1-3-8)15-11-6-10(11)9-4-5-9;/h8-11H,1-7H2,(H3,13,14,15);1H/t10-,11+;/m0./s1
InChIKeyPVTUTDYLIMFQIE-VZXYPILPSA-N
MW335.23 g/mol
LogP2.11
Rot. Bonds4

About 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide (PubChem CID 120666045) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
PubChem CID120666045
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC Name2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C12H21N3.HI/c13-12(14-7-8-2-1-3-8)15-11-6-10(11)9-4-5-9;/h8-11H,1-7H2,(H3,13,14,15);1H/t10-,11+;/m0./s1
InChIKeyPVTUTDYLIMFQIE-VZXYPILPSA-N
XLogP2.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.11
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-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
CID 122126105
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
CID 130614190
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
CID 120514391
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120666065
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
2-(cyclobutylmethyl)-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)guanidine;hydroiodide
CID 111815699

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide (CID 120666045) is 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide is I.N/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide?
The InChIKey is PVTUTDYLIMFQIE-VZXYPILPSA-N. The full InChI is InChI=1S/C12H21N3.HI/c13-12(14-7-8-2-1-3-8)15-11-6-10(11)9-4-5-9;/h8-11H,1-7H2,(H3,13,14,15);1H/t10-,11+;/m0./s1.
What are the key properties of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide has a molecular weight of 335.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide is sourced from PubChem (CID 120666045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).