N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide

C22H40N4 — CID 101405086

IUPACN,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C22H40N4/c1-3-9-19(10-4-1)23-22(24-20-11-5-2-6-12-20)26-17-13-21(14-18-26)25-15-7-8-16-25/h19-21H,1-18H2,(H,23,24)
InChIKeyYMSREZZDRKRGFU-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.16
Rot. Bonds3

About N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide

N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide (PubChem CID 101405086) has the molecular formula C22H40N4 and a molecular weight of 360.59 g/mol. Its IUPAC name is N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
PubChem CID101405086
Molecular FormulaC22H40N4
Molecular Weight360.59 g/mol
Exact Mass360.33
IUPAC NameN,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C22H40N4/c1-3-9-19(10-4-1)23-22(24-20-11-5-2-6-12-20)26-17-13-21(14-18-26)25-15-7-8-16-25/h19-21H,1-18H2,(H,23,24)
InChIKeyYMSREZZDRKRGFU-UHFFFAOYSA-N
XLogP4.16
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.16
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'}

Analyze N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-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 N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide (CID 101405086) is N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide is C1CCC(/N=C(/NC2CCCCC2)N2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The InChIKey is YMSREZZDRKRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4/c1-3-9-19(10-4-1)23-22(24-20-11-5-2-6-12-20)26-17-13-21(14-18-26)25-15-7-8-16-25/h19-21H,1-18H2,(H,23,24).
What are the key properties of N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide has a molecular weight of 360.59 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 101405086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).