3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide

C22H43N3 — CID 90946232

IUPAC3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)CC)C1
InChIInChI=1S/C22H43N3/c1-5-8-16-24(7-3)22(23-21-14-10-9-11-15-21)25-17-12-13-20(18-25)19(4)6-2/h19-21H,5-18H2,1-4H3/b23-22+
InChIKeyFLLANQBZEYDEPV-GHVJWSGMSA-N
MW349.61 g/mol
LogP5.56
Rot. Bonds7

About 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide

3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide (PubChem CID 90946232) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide
PubChem CID90946232
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)CC)C1
InChIInChI=1S/C22H43N3/c1-5-8-16-24(7-3)22(23-21-14-10-9-11-15-21)25-17-12-13-20(18-25)19(4)6-2/h19-21H,5-18H2,1-4H3/b23-22+
InChIKeyFLLANQBZEYDEPV-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'}

Analyze 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide?
The IUPAC name of 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide (CID 90946232) is 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide?
The canonical SMILES for 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide is CCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)CC)C1.
What is the InChIKey of 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide?
The InChIKey is FLLANQBZEYDEPV-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H43N3/c1-5-8-16-24(7-3)22(23-21-14-10-9-11-15-21)25-17-12-13-20(18-25)19(4)6-2/h19-21H,5-18H2,1-4H3/b23-22+.
What are the key properties of 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide?
3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-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 3-butan-2-yl-N-butyl-N'-cyclohexyl-N-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 90946232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).