5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol

C17H27NO2 — CID 107706929

IUPAC5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)C1CCCCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C17H27NO2/c1-12(14-7-5-3-4-6-8-14)18-13(2)15-9-16(19)11-17(20)10-15/h9-14,18-20H,3-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyFVKDKRBVKHFMTN-UEWDXFNNSA-N
MW277.41 g/mol
LogP4.11
Rot. Bonds4

About 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol

5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107706929) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
PubChem CID107706929
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)C1CCCCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C17H27NO2/c1-12(14-7-5-3-4-6-8-14)18-13(2)15-9-16(19)11-17(20)10-15/h9-14,18-20H,3-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyFVKDKRBVKHFMTN-UEWDXFNNSA-N
XLogP4.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol (CID 107706929) is 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol is CC(N[C@@H](C)C1CCCCCC1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is FVKDKRBVKHFMTN-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(14-7-5-3-4-6-8-14)18-13(2)15-9-16(19)11-17(20)10-15/h9-14,18-20H,3-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol?
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 277.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).