N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide

C22H43N3 — CID 91250141

IUPACN-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)C)C1
InChIInChI=1S/C22H43N3/c1-5-7-15-24(6-2)22(23-21-13-9-8-10-14-21)25-16-11-12-20(18-25)17-19(3)4/h19-21H,5-18H2,1-4H3/b23-22+
InChIKeyXDUOPFACIKTJER-GHVJWSGMSA-N
MW349.61 g/mol
LogP5.56
Rot. Bonds7

About N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide

N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 91250141) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID91250141
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC NameN-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)C)C1
InChIInChI=1S/C22H43N3/c1-5-7-15-24(6-2)22(23-21-13-9-8-10-14-21)25-16-11-12-20(18-25)17-19(3)4/h19-21H,5-18H2,1-4H3/b23-22+
InChIKeyXDUOPFACIKTJER-GHVJWSGMSA-N
XLogP5.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.56
H-Bond Donors ≤ 50
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-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide (CID 91250141) is N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide is CCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)C)C1.
What is the InChIKey of N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is XDUOPFACIKTJER-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H43N3/c1-5-7-15-24(6-2)22(23-21-13-9-8-10-14-21)25-16-11-12-20(18-25)17-19(3)4/h19-21H,5-18H2,1-4H3/b23-22+.
What are the key properties of N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide?
N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 349.61 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclohexyl-N-ethyl-3-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 91250141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).