5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide

C12H27N3O — CID 65258029

IUPAC5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)C(C)COC
InChIInChI=1S/C12H27N3O/c1-10(9-16-5)15(4)8-6-7-12(2,3)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14)
InChIKeyBISJMWRQNOLWSA-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.70
Rot. Bonds8

About 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide

5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258029) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258029
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)C(C)COC
InChIInChI=1S/C12H27N3O/c1-10(9-16-5)15(4)8-6-7-12(2,3)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14)
InChIKeyBISJMWRQNOLWSA-UHFFFAOYSA-N
XLogP1.70
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide (CID 65258029) is 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)C(C)COC.
What is the InChIKey of 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is BISJMWRQNOLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(9-16-5)15(4)8-6-7-12(2,3)11(13)14/h10H,6-9H2,1-5H3,(H3,13,14).
What are the key properties of 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide?
5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).