N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide

C13H25N3O — CID 102963256

IUPACN'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CCCC2)CCC1C
InChIInChI=1S/C13H25N3O/c1-10-7-8-16(9-12(10)17-2)13(14)15-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyORVYGISJVODSEW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.60
Rot. Bonds2

About N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide

N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102963256) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102963256
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CCCC2)CCC1C
InChIInChI=1S/C13H25N3O/c1-10-7-8-16(9-12(10)17-2)13(14)15-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyORVYGISJVODSEW-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.60
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-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
2-Cyclopentyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
CID 55063915
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
N'-cyclopentyl-2,2,6-trimethylmorpholine-4-carboximidamide
CID 62361648
5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62362119
N'-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 62362282
N'-cyclopentyl-3-ethoxypiperidine-1-carboximidamide
CID 62362293
N'-ethyl-3-propoxypiperidine-1-carboximidamide
CID 62362575

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102963256) is N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide is COC1CN(/C(N)=N/C2CCCC2)CCC1C.
What is the InChIKey of N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is ORVYGISJVODSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-7-8-16(9-12(10)17-2)13(14)15-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).