N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide

C15H28N2 — CID 63176723

IUPACN'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
SMILESCC1CCCCC1C/N=C(\N)C1CCCCC1
InChIInChI=1S/C15H28N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h12-14H,2-11H2,1H3,(H2,16,17)
InChIKeyOSDUZZOTPRQJSX-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.75
Rot. Bonds3

About N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide

N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide (PubChem CID 63176723) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
PubChem CID63176723
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
SMILESCC1CCCCC1C/N=C(\N)C1CCCCC1
InChIInChI=1S/C15H28N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h12-14H,2-11H2,1H3,(H2,16,17)
InChIKeyOSDUZZOTPRQJSX-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide (CID 63176723) is N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide is CC1CCCCC1C/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide?
The InChIKey is OSDUZZOTPRQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h12-14H,2-11H2,1H3,(H2,16,17).
What are the key properties of N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide?
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide has a molecular weight of 236.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide is sourced from PubChem (CID 63176723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).