2-[2-(2-methylpropoxy)ethoxy]butanimidamide

C10H22N2O2 — CID 106447826

IUPAC2-[2-(2-methylpropoxy)ethoxy]butanimidamide
SMILES[H]/N=C(\N)C(CC)OCCOCC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-9(10(11)12)14-6-5-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H3,11,12)
InChIKeyJEZXSOBVBISHJE-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.39
Rot. Bonds8

About 2-[2-(2-methylpropoxy)ethoxy]butanimidamide

2-[2-(2-methylpropoxy)ethoxy]butanimidamide (PubChem CID 106447826) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]butanimidamide.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]butanimidamide
PubChem CID106447826
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]butanimidamide
SMILES[H]/N=C(\N)C(CC)OCCOCC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-9(10(11)12)14-6-5-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H3,11,12)
InChIKeyJEZXSOBVBISHJE-UHFFFAOYSA-N
XLogP1.39
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-(3-methoxy-3-methylbutoxy)butanimidamide
CID 106665863
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-3-amine
CID 106447397
2-(2-methylpropoxy)ethyl 3-aminopentanoate
CID 106448091
3-methyl-4-propoxybutanimidamide
CID 158121908
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]butanimidamide?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]butanimidamide (CID 106447826) is 2-[2-(2-methylpropoxy)ethoxy]butanimidamide.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]butanimidamide?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]butanimidamide is [H]/N=C(\N)C(CC)OCCOCC(C)C.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]butanimidamide?
The InChIKey is JEZXSOBVBISHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-9(10(11)12)14-6-5-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H3,11,12).
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]butanimidamide?
2-[2-(2-methylpropoxy)ethoxy]butanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]butanimidamide is sourced from PubChem (CID 106447826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).