1-iodoazepan-3-ol

C6H12INO — CID 153050847

IUPAC1-iodoazepan-3-ol
SMILESOC1CCCCN(I)C1
InChIInChI=1S/C6H12INO/c7-8-4-2-1-3-6(9)5-8/h6,9H,1-5H2
InChIKeyVHNGUNZSQZZBDM-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.18
Rot. Bonds

About 1-iodoazepan-3-ol

1-iodoazepan-3-ol (PubChem CID 153050847) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 1-iodoazepan-3-ol.

Molecular Properties

Compound Name1-iodoazepan-3-ol
PubChem CID153050847
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name1-iodoazepan-3-ol
SMILESOC1CCCCN(I)C1
InChIInChI=1S/C6H12INO/c7-8-4-2-1-3-6(9)5-8/h6,9H,1-5H2
InChIKeyVHNGUNZSQZZBDM-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.18
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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Related Compounds

1-methylazepan-3-ol
CID 22636113
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
1-iodo-4-methyl-1,4-diazepan-6-ol
CID 130410427
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
(3R)-1-iodopyrrolidine-3-carboxamide
CID 144745483
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
cyclopentanol;dihydrochloride
CID 86599054
cyclopentanol;hafnium
CID 150405183
pentakis(cyclopentanol);hafnium
CID 142301948
cyclohexanol;cyclooctanol
CID 22461579
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463

Frequently Asked Questions

What is the IUPAC name of 1-iodoazepan-3-ol?
The IUPAC name of 1-iodoazepan-3-ol (CID 153050847) is 1-iodoazepan-3-ol.
What is the SMILES notation for 1-iodoazepan-3-ol?
The canonical SMILES for 1-iodoazepan-3-ol is OC1CCCCN(I)C1.
What is the InChIKey of 1-iodoazepan-3-ol?
The InChIKey is VHNGUNZSQZZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c7-8-4-2-1-3-6(9)5-8/h6,9H,1-5H2.
What are the key properties of 1-iodoazepan-3-ol?
1-iodoazepan-3-ol has a molecular weight of 241.07 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoazepan-3-ol is sourced from PubChem (CID 153050847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).