1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol

C21H26N2O — CID 3124283

IUPAC1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2
InChIKeyVKKYZYNAWYQWQN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.08
Rot. Bonds5

About 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol

1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol (PubChem CID 3124283) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol
PubChem CID3124283
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2
InChIKeyVKKYZYNAWYQWQN-UHFFFAOYSA-N
XLogP4.08
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol (CID 3124283) is 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol is OC(CNC1CCCCC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol?
The InChIKey is VKKYZYNAWYQWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2.
What are the key properties of 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol?
1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 3124283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).