N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide

C12H23N3O — CID 62363382

IUPACN'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide
SMILESCC1(C)CN(/C(N)=N/C2CCCC2)CCO1
InChIInChI=1S/C12H23N3O/c1-12(2)9-15(7-8-16-12)11(13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKBNGIZSNPGKCPZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds1

About N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide

N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide (PubChem CID 62363382) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide
PubChem CID62363382
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide
SMILESCC1(C)CN(/C(N)=N/C2CCCC2)CCO1
InChIInChI=1S/C12H23N3O/c1-12(2)9-15(7-8-16-12)11(13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKBNGIZSNPGKCPZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide (CID 62363382) is N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide is CC1(C)CN(/C(N)=N/C2CCCC2)CCO1.
What is the InChIKey of N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide?
The InChIKey is KBNGIZSNPGKCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2)9-15(7-8-16-12)11(13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide?
N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2,2-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62363382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).