N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide

C13H26N4O2 — CID 103542275

IUPACN-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(=N/C2CCCCC2)NN)CC1OC
InChIInChI=1S/C13H26N4O2/c1-18-11-8-17(9-12(11)19-2)13(16-14)15-10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyFCTUBFMEWNFGRM-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.48
Rot. Bonds3

About N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide

N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103542275) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103542275
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(=N/C2CCCCC2)NN)CC1OC
InChIInChI=1S/C13H26N4O2/c1-18-11-8-17(9-12(11)19-2)13(16-14)15-10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyFCTUBFMEWNFGRM-UHFFFAOYSA-N
XLogP0.48
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 103542267
N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542268
N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
CID 103542269
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 103542270
N-amino-N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542273
N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542276
N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542277
N-amino-3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542278
N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103542279

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103542275) is N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide is COC1CN(/C(=N/C2CCCCC2)NN)CC1OC.
What is the InChIKey of N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is FCTUBFMEWNFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-18-11-8-17(9-12(11)19-2)13(16-14)15-10-6-4-3-5-7-10/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 270.38 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).