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'}

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Related Compounds

N,N'-dicyclohexylpiperidine-1-carboximidamide
CID 10379543
N,N'-dicyclohexylpyrrolidine-1-carboximidamide
CID 12558940
N,N'-dicyclohexylpiperazine-1-carboximidamide
CID 12558941
N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide
CID 25139417
N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide
CID 58097743
1-Cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine
CID 58788466
1,2-Dicyclohexyl-1-pyrrolidin-3-ylguanidine
CID 66586251
1,2-Dicyclohexyl-1-piperidin-3-ylguanidine
CID 66586291
N,N'-dicyclohexylpyrrolidine-1-carboximidamide;guanidine
CID 66762100
1,3-Dicyclohexyl-2-piperidin-4-ylguanidine
CID 70148524
1,2-Dicyclohexyl-1-piperidin-4-ylguanidine
CID 70183091
2-(3-Aminopropyl)-1,3-dicyclohexylguanidine
CID 118456456

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).