N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine

C18H36N6 — CID 66762100

IUPACN,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCCC2)CC1.[H]N=C(N)N
InChIInChI=1S/C17H31N3.CH5N3/c1-3-9-15(10-4-1)18-17(20-13-7-8-14-20)19-16-11-5-2-6-12-16;2-1(3)4/h15-16H,1-14H2,(H,18,19);(H5,2,3,4)
InChIKeyRAKDWZTZQIEFSD-UHFFFAOYSA-N
MW336.53 g/mol
LogP2.53
Rot. Bonds2

About N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine

N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine (PubChem CID 66762100) has the molecular formula C18H36N6 and a molecular weight of 336.53 g/mol. Its IUPAC name is N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine.

Molecular Properties

Compound NameN,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine
PubChem CID66762100
Molecular FormulaC18H36N6
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC NameN,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCCC2)CC1.[H]N=C(N)N
InChIInChI=1S/C17H31N3.CH5N3/c1-3-9-15(10-4-1)18-17(20-13-7-8-14-20)19-16-11-5-2-6-12-16;2-1(3)4/h15-16H,1-14H2,(H,18,19);(H5,2,3,4)
InChIKeyRAKDWZTZQIEFSD-UHFFFAOYSA-N
XLogP2.53
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 52.53
H-Bond Donors ≤ 54
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'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine 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'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine?
The IUPAC name of N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine (CID 66762100) is N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine.
What is the SMILES notation for N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine?
The canonical SMILES for N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine is C1CCC(/N=C(/NC2CCCCC2)N2CCCC2)CC1.[H]N=C(N)N.
What is the InChIKey of N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine?
The InChIKey is RAKDWZTZQIEFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3.CH5N3/c1-3-9-15(10-4-1)18-17(20-13-7-8-14-20)19-16-11-5-2-6-12-16;2-1(3)4/h15-16H,1-14H2,(H,18,19);(H5,2,3,4).
What are the key properties of N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine?
N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine has a molecular weight of 336.53 g/mol, XLogP of 2.53, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine is sourced from PubChem (CID 66762100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).