1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide

C13H26IN3 — CID 110934560

IUPAC1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CC1.I
InChIInChI=1S/C13H25N3.HI/c1-10-4-3-5-11(8-10)9-15-13(14-2)16-12-6-7-12;/h10-12H,3-9H2,1-2H3,(H2,14,15,16);1H
InChIKeyWWOXDJGYMDCIBA-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 110934560) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID110934560
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CC1.I
InChIInChI=1S/C13H25N3.HI/c1-10-4-3-5-11(8-10)9-15-13(14-2)16-12-6-7-12;/h10-12H,3-9H2,1-2H3,(H2,14,15,16);1H
InChIKeyWWOXDJGYMDCIBA-UHFFFAOYSA-N
XLogP2.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.76
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-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110990004
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111962409
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
tert-butyl N-[2-[[N'-methyl-N-[(3-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884497
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111081671
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758792
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119146298
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 110934560) is 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is C/N=C(\NCC1CCCC(C)C1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is WWOXDJGYMDCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-10-4-3-5-11(8-10)9-15-13(14-2)16-12-6-7-12;/h10-12H,3-9H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110934560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).