1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine

C14H27N3 — CID 119154163

IUPAC1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17-14(15-3)16-12-5-4-6-12/h10-13H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyJKMJNSNZDPUIDE-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds2

About 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine

1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine (PubChem CID 119154163) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
PubChem CID119154163
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17-14(15-3)16-12-5-4-6-12/h10-13H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyJKMJNSNZDPUIDE-UHFFFAOYSA-N
XLogP2.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
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'}

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Related Compounds

1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
CID 119154322
1-cyclobutyl-2-methyl-3-(3-methylsulfanylcyclohexyl)guanidine
CID 119154206
1-cyclobutyl-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 119153768
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110990004
1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111995625
1-(3,5-dimethylcyclohexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111997032
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119153825

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine?
The IUPAC name of 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine (CID 119154163) is 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine is C/N=C(\NC1CCC1)NC1CC(C)CC(C)C1.
What is the InChIKey of 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine?
The InChIKey is JKMJNSNZDPUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17-14(15-3)16-12-5-4-6-12/h10-13H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine?
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine is sourced from PubChem (CID 119154163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).