N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide

C24H47N3 — CID 90754989

IUPACN-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)(C)CC)C1
InChIInChI=1S/C24H47N3/c1-6-9-17-26(8-3)23(25-22-15-11-10-12-16-22)27-18-13-14-21(20-27)19-24(4,5)7-2/h21-22H,6-20H2,1-5H3/b25-23+
InChIKeyWGNZVMRHDQJNFR-WJTDDFOZSA-N
MW377.66 g/mol
LogP6.34
Rot. Bonds8

About N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide

N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide (PubChem CID 90754989) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide
PubChem CID90754989
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC NameN-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide
SMILESCCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)(C)CC)C1
InChIInChI=1S/C24H47N3/c1-6-9-17-26(8-3)23(25-22-15-11-10-12-16-22)27-18-13-14-21(20-27)19-24(4,5)7-2/h21-22H,6-20H2,1-5H3/b25-23+
InChIKeyWGNZVMRHDQJNFR-WJTDDFOZSA-N
XLogP6.34
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 56.34
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-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide?
The IUPAC name of N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide (CID 90754989) is N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide?
The canonical SMILES for N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide is CCCCN(CC)/C(=N\C1CCCCC1)N1CCCC(CC(C)(C)CC)C1.
What is the InChIKey of N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide?
The InChIKey is WGNZVMRHDQJNFR-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H47N3/c1-6-9-17-26(8-3)23(25-22-15-11-10-12-16-22)27-18-13-14-21(20-27)19-24(4,5)7-2/h21-22H,6-20H2,1-5H3/b25-23+.
What are the key properties of N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide?
N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide has a molecular weight of 377.66 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 90754989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).