5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol

C12H22N2O — CID 131995634

IUPAC5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
SMILESCCCNCCNC1CC=C(O)C=C1C
InChIInChI=1S/C12H22N2O/c1-3-6-13-7-8-14-12-5-4-11(15)9-10(12)2/h4,9,12-15H,3,5-8H2,1-2H3
InChIKeyYHWZGMBORGQWQC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds6

About 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol

5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol (PubChem CID 131995634) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
PubChem CID131995634
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
SMILESCCCNCCNC1CC=C(O)C=C1C
InChIInChI=1S/C12H22N2O/c1-3-6-13-7-8-14-12-5-4-11(15)9-10(12)2/h4,9,12-15H,3,5-8H2,1-2H3
InChIKeyYHWZGMBORGQWQC-UHFFFAOYSA-N
XLogP1.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol (CID 131995634) is 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol is CCCNCCNC1CC=C(O)C=C1C.
What is the InChIKey of 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The InChIKey is YHWZGMBORGQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-13-7-8-14-12-5-4-11(15)9-10(12)2/h4,9,12-15H,3,5-8H2,1-2H3.
What are the key properties of 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 131995634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).