2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol

C10H15NO — CID 70667180

IUPAC2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol
SMILESCC1C=CC(=CNCCO)C=C1
InChIInChI=1S/C10H15NO/c1-9-2-4-10(5-3-9)8-11-6-7-12/h2-5,8-9,11-12H,6-7H2,1H3/b10-8-
InChIKeyQKQUYRLEKXAMGQ-NTMALXAHSA-N
MW165.24 g/mol
LogP1.21
Rot. Bonds3

About 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol

2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol (PubChem CID 70667180) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol
PubChem CID70667180
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol
SMILESCC1C=CC(=CNCCO)C=C1
InChIInChI=1S/C10H15NO/c1-9-2-4-10(5-3-9)8-11-6-7-12/h2-5,8-9,11-12H,6-7H2,1H3/b10-8-
InChIKeyQKQUYRLEKXAMGQ-NTMALXAHSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol?
The IUPAC name of 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol (CID 70667180) is 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol.
What is the SMILES notation for 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol?
The canonical SMILES for 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol is CC1C=CC(=CNCCO)C=C1.
What is the InChIKey of 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol?
The InChIKey is QKQUYRLEKXAMGQ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-2-4-10(5-3-9)8-11-6-7-12/h2-5,8-9,11-12H,6-7H2,1H3/b10-8-.
What are the key properties of 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol?
2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol is sourced from PubChem (CID 70667180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).