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

C15H30IN3 — CID 110990004

IUPAC1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-12-6-5-7-13(10-12)11-17-15(16-2)18-14-8-3-4-9-14;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyGSBLXQWEKMYVJX-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.54
Rot. Bonds3

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

1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 110990004) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID110990004
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-12-6-5-7-13(10-12)11-17-15(16-2)18-14-8-3-4-9-14;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyGSBLXQWEKMYVJX-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 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 ≤ 53.54
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-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
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
1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758792
1-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
tert-butyl N-[2-[[N'-methyl-N-[(3-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884497
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-(cyclooctylmethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437753
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111081671
1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119146298

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 110990004) is 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is C/N=C(\NCC1CCCC(C)C1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is GSBLXQWEKMYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-12-6-5-7-13(10-12)11-17-15(16-2)18-14-8-3-4-9-14;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110990004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).