N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine

C₁₁H₂₂IN — CID 171560888

About N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine

N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine (PubChem CID 171560888) has the molecular formula C₁₁H₂₂IN and a molecular weight of 295.21 g/mol. Its IUPAC name is N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine.

Molecular Properties

• Compound Name: N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
• PubChem CID: 171560888
• Molecular Formula: C₁₁H₂₂IN
• Molecular Weight: 295.21 g/mol
• Exact Mass: 295.08
• IUPAC Name: N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
• SMILES: C=CCC(C)(C)CCNC(C)(C)I
• InChI: InChI=1S/C11H22IN/c1-6-7-10(2,3)8-9-13-11(4,5)12/h6,13H,1,7-9H2,2-5H3
• InChIKey: QFHBTEYRNDVSOL-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.21
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?

The IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine (CID 171560888) is N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine.

What is the SMILES notation for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?

The canonical SMILES for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine is C=CCC(C)(C)CCNC(C)(C)I.

What is the InChIKey of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?

The InChIKey is QFHBTEYRNDVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN/c1-6-7-10(2,3)8-9-13-11(4,5)12/h6,13H,1,7-9H2,2-5H3.

What are the key properties of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?

N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine is sourced from PubChem (CID 171560888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171560888 — identifiers, structure, computed properties (public domain)

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