3,3-dimethylpentanimidamide

C7H16N2 — CID 143852349

IUPAC3,3-dimethylpentanimidamide
SMILES[H]/N=C(\N)CC(C)(C)CC
InChIInChI=1S/C7H16N2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H3,8,9)
InChIKeyFEOALNHNIAQAOO-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.75
Rot. Bonds3

About 3,3-dimethylpentanimidamide

3,3-dimethylpentanimidamide (PubChem CID 143852349) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,3-dimethylpentanimidamide.

Molecular Properties

Compound Name3,3-dimethylpentanimidamide
PubChem CID143852349
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3,3-dimethylpentanimidamide
SMILES[H]/N=C(\N)CC(C)(C)CC
InChIInChI=1S/C7H16N2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H3,8,9)
InChIKeyFEOALNHNIAQAOO-UHFFFAOYSA-N
XLogP1.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2,2,4,4-tetramethylhexanimidamide
CID 123171886
(4-amino-4-imino-2-phosphonobutan-2-yl)phosphonic acid
CID 154148068
methanamine;propanimidamide
CID 158653796
2-hydroxy-2-methylbutanimidamide
CID 23422942
3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 29002991
3,3-dimethylpentane;ethane;methanol
CID 144527462
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
3-(2,2-dimethylpropoxy)propanimidamide
CID 159874178
4,4-dimethyl-3-oxopentanimidamide
CID 71322397

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentanimidamide?
The IUPAC name of 3,3-dimethylpentanimidamide (CID 143852349) is 3,3-dimethylpentanimidamide.
What is the SMILES notation for 3,3-dimethylpentanimidamide?
The canonical SMILES for 3,3-dimethylpentanimidamide is [H]/N=C(\N)CC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentanimidamide?
The InChIKey is FEOALNHNIAQAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H3,8,9).
What are the key properties of 3,3-dimethylpentanimidamide?
3,3-dimethylpentanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentanimidamide is sourced from PubChem (CID 143852349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).