4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide

C12H25N3 — CID 65252117

IUPAC4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)C(C)C1CC1
InChIInChI=1S/C12H25N3/c1-9(10-5-6-10)15(4)8-7-12(2,3)11(13)14/h9-10H,5-8H2,1-4H3,(H3,13,14)
InChIKeyXBZAEZPUYCUBKO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.07
Rot. Bonds6

About 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide

4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252117) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252117
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)C(C)C1CC1
InChIInChI=1S/C12H25N3/c1-9(10-5-6-10)15(4)8-7-12(2,3)11(13)14/h9-10H,5-8H2,1-4H3,(H3,13,14)
InChIKeyXBZAEZPUYCUBKO-UHFFFAOYSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
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 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide (CID 65252117) is 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(C)C(C)C1CC1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is XBZAEZPUYCUBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-9(10-5-6-10)15(4)8-7-12(2,3)11(13)14/h9-10H,5-8H2,1-4H3,(H3,13,14).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide?
4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).