5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol

C16H26N2O2 — CID 107707663

IUPAC5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
SMILESCNC1CCC(N(C)C(C)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-11(12-8-15(19)10-16(20)9-12)18(3)14-6-4-13(17-2)5-7-14/h8-11,13-14,17,19-20H,4-7H2,1-3H3
InChIKeyPDGNXVINUKUCFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.62
Rot. Bonds4

About 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol

5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107707663) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
PubChem CID107707663
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
SMILESCNC1CCC(N(C)C(C)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-11(12-8-15(19)10-16(20)9-12)18(3)14-6-4-13(17-2)5-7-14/h8-11,13-14,17,19-20H,4-7H2,1-3H3
InChIKeyPDGNXVINUKUCFQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol (CID 107707663) is 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol is CNC1CCC(N(C)C(C)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is PDGNXVINUKUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(12-8-15(19)10-16(20)9-12)18(3)14-6-4-13(17-2)5-7-14/h8-11,13-14,17,19-20H,4-7H2,1-3H3.
What are the key properties of 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol?
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 278.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).