5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol

C18H29NO2 — CID 107705663

IUPAC5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
SMILESCC1CCC(C(C)C)C(NC(C)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C18H29NO2/c1-11(2)17-6-5-12(3)7-18(17)19-13(4)14-8-15(20)10-16(21)9-14/h8-13,17-21H,5-7H2,1-4H3
InChIKeyHSKPKMKSIPRJEV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds4

About 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol

5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107705663) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
PubChem CID107705663
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
SMILESCC1CCC(C(C)C)C(NC(C)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C18H29NO2/c1-11(2)17-6-5-12(3)7-18(17)19-13(4)14-8-15(20)10-16(21)9-14/h8-13,17-21H,5-7H2,1-4H3
InChIKeyHSKPKMKSIPRJEV-UHFFFAOYSA-N
XLogP4.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol (CID 107705663) is 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol is CC1CCC(C(C)C)C(NC(C)c2cc(O)cc(O)c2)C1.
What is the InChIKey of 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is HSKPKMKSIPRJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-11(2)17-6-5-12(3)7-18(17)19-13(4)14-8-15(20)10-16(21)9-14/h8-13,17-21H,5-7H2,1-4H3.
What are the key properties of 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol?
5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 291.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).