2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide

C12H24N2O — CID 66234747

IUPAC2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COCCC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-11(2,3)6-7-15-9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H3,13,14)
InChIKeyFBLSTOWZONKXFU-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.55
Rot. Bonds6

About 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide

2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide (PubChem CID 66234747) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide
PubChem CID66234747
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COCCC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-11(2,3)6-7-15-9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H3,13,14)
InChIKeyFBLSTOWZONKXFU-UHFFFAOYSA-N
XLogP2.55
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide (CID 66234747) is 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(COCCC(C)(C)C)CC1.
What is the InChIKey of 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is FBLSTOWZONKXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)6-7-15-9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H3,13,14).
What are the key properties of 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide?
2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 212.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutoxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 66234747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).