2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol

C12H21NO — CID 123519994

IUPAC2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
SMILESC=C(C)C=C(C=C(C)C)CNCCO
InChIInChI=1S/C12H21NO/c1-10(2)7-12(8-11(3)4)9-13-5-6-14/h7-8,13-14H,1,5-6,9H2,2-4H3
InChIKeyZOSCLUSXDBDRAZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds6

About 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol

2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol (PubChem CID 123519994) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
PubChem CID123519994
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
SMILESC=C(C)C=C(C=C(C)C)CNCCO
InChIInChI=1S/C12H21NO/c1-10(2)7-12(8-11(3)4)9-13-5-6-14/h7-8,13-14H,1,5-6,9H2,2-4H3
InChIKeyZOSCLUSXDBDRAZ-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol?
The IUPAC name of 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol (CID 123519994) is 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol?
The canonical SMILES for 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol is C=C(C)C=C(C=C(C)C)CNCCO.
What is the InChIKey of 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol?
The InChIKey is ZOSCLUSXDBDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)7-12(8-11(3)4)9-13-5-6-14/h7-8,13-14H,1,5-6,9H2,2-4H3.
What are the key properties of 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol?
2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol has a molecular weight of 195.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 123519994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).