N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide

C21H41N3 — CID 91100809

IUPACN-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)C)C1
InChIInChI=1S/C21H41N3/c1-5-7-15-23(6-2)21(22-20-13-9-8-10-14-20)24-16-11-12-19(17-24)18(3)4/h18-20H,5-17H2,1-4H3/b22-21+
InChIKeyAJBOXHHIKZHBQS-QURGRASLSA-N
MW335.58 g/mol
LogP5.17
Rot. Bonds6

About N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide

N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 91100809) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide
PubChem CID91100809
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC NameN-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)C)C1
InChIInChI=1S/C21H41N3/c1-5-7-15-23(6-2)21(22-20-13-9-8-10-14-20)24-16-11-12-19(17-24)18(3)4/h18-20H,5-17H2,1-4H3/b22-21+
InChIKeyAJBOXHHIKZHBQS-QURGRASLSA-N
XLogP5.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.17
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-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide (CID 91100809) is N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide is CCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(C(C)C)C1.
What is the InChIKey of N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is AJBOXHHIKZHBQS-QURGRASLSA-N. The full InChI is InChI=1S/C21H41N3/c1-5-7-15-23(6-2)21(22-20-13-9-8-10-14-20)24-16-11-12-19(17-24)18(3)4/h18-20H,5-17H2,1-4H3/b22-21+.
What are the key properties of N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide?
N-butyl-N'-cyclohexyl-N-ethyl-3-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 335.58 g/mol, XLogP of 5.17, 6 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-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 91100809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).