1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride

C24H35ClN2O2 — CID 44531483

IUPAC1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride
SMILESCl.Oc1ccc2c(CNC3CCCCC3)c(O)ccc2c1CNC1CCCCC1
InChIInChI=1S/C24H34N2O2.ClH/c27-23-13-12-20-19(21(23)15-25-17-7-3-1-4-8-17)11-14-24(28)22(20)16-26-18-9-5-2-6-10-18;/h11-14,17-18,25-28H,1-10,15-16H2;1H
InChIKeyFOHIRELMKYUNQT-UHFFFAOYSA-N
MW419.01 g/mol
LogP5.52
Rot. Bonds6

About 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride

1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride (PubChem CID 44531483) has the molecular formula C24H35ClN2O2 and a molecular weight of 419.01 g/mol. Its IUPAC name is 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride.

Molecular Properties

Compound Name1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride
PubChem CID44531483
Molecular FormulaC24H35ClN2O2
Molecular Weight419.01 g/mol
Exact Mass418.24
IUPAC Name1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride
SMILESCl.Oc1ccc2c(CNC3CCCCC3)c(O)ccc2c1CNC1CCCCC1
InChIInChI=1S/C24H34N2O2.ClH/c27-23-13-12-20-19(21(23)15-25-17-7-3-1-4-8-17)11-14-24(28)22(20)16-26-18-9-5-2-6-10-18;/h11-14,17-18,25-28H,1-10,15-16H2;1H
InChIKeyFOHIRELMKYUNQT-UHFFFAOYSA-N
XLogP5.52
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.01
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride 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 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride?
The IUPAC name of 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride (CID 44531483) is 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride.
What is the SMILES notation for 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride?
The canonical SMILES for 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride is Cl.Oc1ccc2c(CNC3CCCCC3)c(O)ccc2c1CNC1CCCCC1.
What is the InChIKey of 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride?
The InChIKey is FOHIRELMKYUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2.ClH/c27-23-13-12-20-19(21(23)15-25-17-7-3-1-4-8-17)11-14-24(28)22(20)16-26-18-9-5-2-6-10-18;/h11-14,17-18,25-28H,1-10,15-16H2;1H.
What are the key properties of 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride?
1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride has a molecular weight of 419.01 g/mol, XLogP of 5.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride is sourced from PubChem (CID 44531483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).