1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

C15H30IN3 — CID 110912554

IUPAC1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESCC1CCCCC1C/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H
InChIKeyNTYSUVKKERSAKM-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.67
Rot. Bonds3

About 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 110912554) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID110912554
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESCC1CCCCC1C/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H
InChIKeyNTYSUVKKERSAKM-UHFFFAOYSA-N
XLogP3.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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': '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-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107420682
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119146528
1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
CID 119161149
1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110987907
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
CID 119146529

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 110912554) is 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is CC1CCCCC1C/N=C(\N)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is NTYSUVKKERSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110912554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).