N'-(2,2-dimethyloxolan-3-yl)butanimidamide

C10H20N2O — CID 130993560

IUPACN'-(2,2-dimethyloxolan-3-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCOC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)12-8-6-7-13-10(8,2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyTUUHPSWYUIXOJX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.71
Rot. Bonds3

About N'-(2,2-dimethyloxolan-3-yl)butanimidamide

N'-(2,2-dimethyloxolan-3-yl)butanimidamide (PubChem CID 130993560) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(2,2-dimethyloxolan-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-(2,2-dimethyloxolan-3-yl)butanimidamide
PubChem CID130993560
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(2,2-dimethyloxolan-3-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCOC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)12-8-6-7-13-10(8,2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyTUUHPSWYUIXOJX-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.71
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'-(2,2-dimethylcyclohexyl)butanimidamide
CID 79872965
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
CID 130802880
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
N'-cyclopropylpentanimidamide
CID 79413074
N'-(2-methoxy-2-methylcyclopropyl)propanimidamide
CID 164659009
2,2-dimethyloxolan-3-amine
CID 59657974
N'-(2,2-difluorocyclopentyl)propanimidamide
CID 131097767
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N'-(4-methylcyclohexyl)propanimidamide
CID 62049807
[(3S)-2,2-dimethyloxolan-3-yl]hydrazine
CID 125181041
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyloxolan-3-yl)butanimidamide?
The IUPAC name of N'-(2,2-dimethyloxolan-3-yl)butanimidamide (CID 130993560) is N'-(2,2-dimethyloxolan-3-yl)butanimidamide.
What is the SMILES notation for N'-(2,2-dimethyloxolan-3-yl)butanimidamide?
The canonical SMILES for N'-(2,2-dimethyloxolan-3-yl)butanimidamide is CCC/C(N)=N\C1CCOC1(C)C.
What is the InChIKey of N'-(2,2-dimethyloxolan-3-yl)butanimidamide?
The InChIKey is TUUHPSWYUIXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(11)12-8-6-7-13-10(8,2)3/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2,2-dimethyloxolan-3-yl)butanimidamide?
N'-(2,2-dimethyloxolan-3-yl)butanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyloxolan-3-yl)butanimidamide is sourced from PubChem (CID 130993560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).