2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide

C15H30IN3 — CID 111062821

IUPAC2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCC1CCCCC1
InChIInChI=1S/C15H29N3.HI/c16-15(18-12-14-8-4-9-14)17-11-5-10-13-6-2-1-3-7-13;/h13-14H,1-12H2,(H3,16,17,18);1H
InChIKeyMIHJOHYBOKWBNW-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.67
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide

2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide (PubChem CID 111062821) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
PubChem CID111062821
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCC1CCCCC1
InChIInChI=1S/C15H29N3.HI/c16-15(18-12-14-8-4-9-14)17-11-5-10-13-6-2-1-3-7-13;/h13-14H,1-12H2,(H3,16,17,18);1H
InChIKeyMIHJOHYBOKWBNW-UHFFFAOYSA-N
XLogP3.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
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4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066146
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide (CID 111062821) is 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCCC1CCCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide?
The InChIKey is MIHJOHYBOKWBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c16-15(18-12-14-8-4-9-14)17-11-5-10-13-6-2-1-3-7-13;/h13-14H,1-12H2,(H3,16,17,18);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).