N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide

C12H22N2O2 — CID 104766084

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CCCC2)CCOC1
InChIInChI=1S/C12H22N2O2/c1-15-12(6-7-16-9-12)8-14-11(13)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,13,14)
InChIKeyXGKGYFYRKLQCDK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.34
Rot. Bonds4

About N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide

N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide (PubChem CID 104766084) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
PubChem CID104766084
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CCCC2)CCOC1
InChIInChI=1S/C12H22N2O2/c1-15-12(6-7-16-9-12)8-14-11(13)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,13,14)
InChIKeyXGKGYFYRKLQCDK-UHFFFAOYSA-N
XLogP1.34
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(oxolan-3-ylmethyl)cyclopentanecarboximidamide
CID 63174334
N'-[2-(2-methoxyethoxy)ethyl]cyclopentanecarboximidamide
CID 63176323
N'-[(2-methyloxolan-2-yl)methyl]cyclopentanecarboximidamide
CID 80193304
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
CID 104766083
N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide
CID 104766085
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088
N'-[3-(2-methoxyethoxy)propyl]cyclopentanecarboximidamide
CID 105685677
N'-(2,3-dimethoxypropyl)cyclopentanecarboximidamide
CID 105709702
N'-[(2-methyloxolan-3-yl)methyl]cyclopentanecarboximidamide
CID 105746173

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide (CID 104766084) is N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide is COC1(C/N=C(\N)C2CCCC2)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide?
The InChIKey is XGKGYFYRKLQCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-15-12(6-7-16-9-12)8-14-11(13)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide has a molecular weight of 226.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 104766084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).