2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol

C10H17NO — CID 129037184

IUPAC2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol
SMILESCC1C=CC=CC1CNCCO
InChIInChI=1S/C10H17NO/c1-9-4-2-3-5-10(9)8-11-6-7-12/h2-5,9-12H,6-8H2,1H3
InChIKeyGIOSTPFNBUGHQU-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.95
Rot. Bonds4

About 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol

2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol (PubChem CID 129037184) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol
PubChem CID129037184
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol
SMILESCC1C=CC=CC1CNCCO
InChIInChI=1S/C10H17NO/c1-9-4-2-3-5-10(9)8-11-6-7-12/h2-5,9-12H,6-8H2,1H3
InChIKeyGIOSTPFNBUGHQU-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.95
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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Related Compounds

2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
CID 142176480
2-(Cyclohexa-1,5-dien-1-ylmethylamino)ethanol
CID 67765891
2-[(3-Methylcyclohexa-1,5-dien-1-yl)methylamino]ethanol
CID 68176813
2-[(4-Chlorocyclohexa-2,4-dien-1-yl)methylamino]ethanol
CID 68202066
2-(Cyclohexa-2,4-dien-1-ylmethylamino)ethanol
CID 68357044
2-[(1-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70006133
2-[(1-Methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol
CID 70452208
1-[[4-(Aminomethyl)cyclohexa-1,5-dien-1-yl]methylamino]ethanol
CID 88993572
2-[2-[[(1S)-cyclohexa-2,4-dien-1-yl]methylamino]ethoxy]ethanol
CID 88993602
ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol
CID 89017638
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethylamino]ethanol
CID 89351789
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol?
The IUPAC name of 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol (CID 129037184) is 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol?
The canonical SMILES for 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol is CC1C=CC=CC1CNCCO.
What is the InChIKey of 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol?
The InChIKey is GIOSTPFNBUGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-4-2-3-5-10(9)8-11-6-7-12/h2-5,9-12H,6-8H2,1H3.
What are the key properties of 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol?
2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol is sourced from PubChem (CID 129037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).