2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol

C14H23NO — CID 89351789

IUPAC2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol
SMILESC=CC1=CCC(C)C(CCNCCO)C=C1
InChIInChI=1S/C14H23NO/c1-3-13-5-4-12(2)14(7-6-13)8-9-15-10-11-16/h3,5-7,12,14-16H,1,4,8-11H2,2H3
InChIKeyYUMJHQPRCMAOKZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol

2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol (PubChem CID 89351789) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol
PubChem CID89351789
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol
SMILESC=CC1=CCC(C)C(CCNCCO)C=C1
InChIInChI=1S/C14H23NO/c1-3-13-5-4-12(2)14(7-6-13)8-9-15-10-11-16/h3,5-7,12,14-16H,1,4,8-11H2,2H3
InChIKeyYUMJHQPRCMAOKZ-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.28
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-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol (CID 89351789) is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol is C=CC1=CCC(C)C(CCNCCO)C=C1.
What is the InChIKey of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol?
The InChIKey is YUMJHQPRCMAOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-13-5-4-12(2)14(7-6-13)8-9-15-10-11-16/h3,5-7,12,14-16H,1,4,8-11H2,2H3.
What are the key properties of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol?
2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol is sourced from PubChem (CID 89351789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).