4-iodo-N,4-dimethylpentan-2-amine

C7H16IN — CID 88918834

IUPAC4-iodo-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)I
InChIInChI=1S/C7H16IN/c1-6(9-4)5-7(2,3)8/h6,9H,5H2,1-4H3
InChIKeyVQJJMCZULGSSGV-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.20
Rot. Bonds3

About 4-iodo-N,4-dimethylpentan-2-amine

4-iodo-N,4-dimethylpentan-2-amine (PubChem CID 88918834) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-iodo-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-iodo-N,4-dimethylpentan-2-amine
PubChem CID88918834
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name4-iodo-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)I
InChIInChI=1S/C7H16IN/c1-6(9-4)5-7(2,3)8/h6,9H,5H2,1-4H3
InChIKeyVQJJMCZULGSSGV-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,4-dimethylpentan-2-amine?
The IUPAC name of 4-iodo-N,4-dimethylpentan-2-amine (CID 88918834) is 4-iodo-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-iodo-N,4-dimethylpentan-2-amine?
The canonical SMILES for 4-iodo-N,4-dimethylpentan-2-amine is CNC(C)CC(C)(C)I.
What is the InChIKey of 4-iodo-N,4-dimethylpentan-2-amine?
The InChIKey is VQJJMCZULGSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-6(9-4)5-7(2,3)8/h6,9H,5H2,1-4H3.
What are the key properties of 4-iodo-N,4-dimethylpentan-2-amine?
4-iodo-N,4-dimethylpentan-2-amine has a molecular weight of 241.12 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 88918834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).