1-iodo-3-methylazepan-3-ol

C7H14INO — CID 148732506

IUPAC1-iodo-3-methylazepan-3-ol
SMILESCC1(O)CCCCN(I)C1
InChIInChI=1S/C7H14INO/c1-7(10)4-2-3-5-9(8)6-7/h10H,2-6H2,1H3
InChIKeyOBGFCGMBSGGZFE-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.57
Rot. Bonds

About 1-iodo-3-methylazepan-3-ol

1-iodo-3-methylazepan-3-ol (PubChem CID 148732506) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-iodo-3-methylazepan-3-ol.

Molecular Properties

Compound Name1-iodo-3-methylazepan-3-ol
PubChem CID148732506
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name1-iodo-3-methylazepan-3-ol
SMILESCC1(O)CCCCN(I)C1
InChIInChI=1S/C7H14INO/c1-7(10)4-2-3-5-9(8)6-7/h10H,2-6H2,1H3
InChIKeyOBGFCGMBSGGZFE-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methylazepan-3-ol?
The IUPAC name of 1-iodo-3-methylazepan-3-ol (CID 148732506) is 1-iodo-3-methylazepan-3-ol.
What is the SMILES notation for 1-iodo-3-methylazepan-3-ol?
The canonical SMILES for 1-iodo-3-methylazepan-3-ol is CC1(O)CCCCN(I)C1.
What is the InChIKey of 1-iodo-3-methylazepan-3-ol?
The InChIKey is OBGFCGMBSGGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c1-7(10)4-2-3-5-9(8)6-7/h10H,2-6H2,1H3.
What are the key properties of 1-iodo-3-methylazepan-3-ol?
1-iodo-3-methylazepan-3-ol has a molecular weight of 255.10 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylazepan-3-ol is sourced from PubChem (CID 148732506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).