N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide

C16H32N4 — CID 111056235

IUPACN'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N4/c1-19(2)15(14-9-5-3-6-10-14)13-18-16(17)20-11-7-4-8-12-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyMYYYBPCGUFYLFM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.30
Rot. Bonds4

About N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide

N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide (PubChem CID 111056235) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
PubChem CID111056235
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N4/c1-19(2)15(14-9-5-3-6-10-14)13-18-16(17)20-11-7-4-8-12-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyMYYYBPCGUFYLFM-UHFFFAOYSA-N
XLogP2.30
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111056223
tert-butyl 4-[N'-[2-cyclopropyl-2-(dimethylamino)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111073285
2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
N'-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111815483
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
ethyl 4-[[N'-[2-cyclohexyl-2-(dimethylamino)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327651
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868072
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111056225

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide (CID 111056235) is N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide is CN(C)C(C/N=C(\N)N1CCCCC1)C1CCCCC1.
What is the InChIKey of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide?
The InChIKey is MYYYBPCGUFYLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-19(2)15(14-9-5-3-6-10-14)13-18-16(17)20-11-7-4-8-12-20/h14-15H,3-13H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide?
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide has a molecular weight of 280.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111056235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).