1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol

C21H24I2N2O — CID 3119532

IUPAC1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C21H24I2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2
InChIKeyJWFSARIOZVATFH-UHFFFAOYSA-N
MW574.24 g/mol
LogP5.29
Rot. Bonds5

About 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol

1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol (PubChem CID 3119532) has the molecular formula C21H24I2N2O and a molecular weight of 574.24 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
PubChem CID3119532
Molecular FormulaC21H24I2N2O
Molecular Weight574.24 g/mol
Exact Mass574.00
IUPAC Name1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C21H24I2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2
InChIKeyJWFSARIOZVATFH-UHFFFAOYSA-N
XLogP5.29
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.24
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol (CID 3119532) is 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol is OC(CNC1CCCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21.
What is the InChIKey of 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol?
The InChIKey is JWFSARIOZVATFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24I2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2.
What are the key properties of 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol?
1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol has a molecular weight of 574.24 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 3119532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).