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

C15H26N2O2 — CID 106040787

IUPAC5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCCN(C)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H26N2O2/c1-11(2)17(4)7-5-6-16-12(3)13-8-14(18)10-15(19)9-13/h8-12,16,18-19H,5-7H2,1-4H3
InChIKeyLRMVSFTVMOWCDX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.48
Rot. Bonds7

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

5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol (PubChem CID 106040787) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
PubChem CID106040787
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCCN(C)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H26N2O2/c1-11(2)17(4)7-5-6-16-12(3)13-8-14(18)10-15(19)9-13/h8-12,16,18-19H,5-7H2,1-4H3
InChIKeyLRMVSFTVMOWCDX-UHFFFAOYSA-N
XLogP2.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716762
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol (CID 106040787) is 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol is CC(NCCCN(C)C(C)C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol?
The InChIKey is LRMVSFTVMOWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)17(4)7-5-6-16-12(3)13-8-14(18)10-15(19)9-13/h8-12,16,18-19H,5-7H2,1-4H3.
What are the key properties of 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol?
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol has a molecular weight of 266.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106040787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).