1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol

C10H17NO — CID 156635753

IUPAC1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC(O)NC1(C)C=CC=CC1C
InChIInChI=1S/C10H17NO/c1-8-6-4-5-7-10(8,3)11-9(2)12/h4-9,11-12H,1-3H3
InChIKeyLDUPCKSRMANCBT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.44
Rot. Bonds2

About 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol

1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 156635753) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID156635753
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC(O)NC1(C)C=CC=CC1C
InChIInChI=1S/C10H17NO/c1-8-6-4-5-7-10(8,3)11-9(2)12/h4-9,11-12H,1-3H3
InChIKeyLDUPCKSRMANCBT-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 19086637
1-[(4-Amino-4-ethylcyclohexa-2,5-dien-1-yl)amino]ethanol
CID 20185049
2-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 67043350
2-[(3-Methylcyclohexa-1,5-dien-1-yl)methylamino]ethanol
CID 68176813
2-[(1-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70006133
1-[[4-(Aminomethyl)cyclohexa-1,5-dien-1-yl]methylamino]ethanol
CID 88993572
ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol
CID 89017638
(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol
CID 89192989
1-[(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
CID 91503472
2-[1-(Ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
CID 91512978
1-[(2-Ethylidene-3-methylpent-4-enyl)amino]ethanol
CID 123439334
1-[[4-(3-Methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]amino]ethanol
CID 123807786

Frequently Asked Questions

What is the IUPAC name of 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 156635753) is 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol is CC(O)NC1(C)C=CC=CC1C.
What is the InChIKey of 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is LDUPCKSRMANCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-6-4-5-7-10(8,3)11-9(2)12/h4-9,11-12H,1-3H3.
What are the key properties of 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 156635753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).