2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol

C10H17NO — CID 91512978

IUPAC2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCCNC1(CCO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-11-10(8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3
InChIKeyCZINNYDWQHKNNE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds4

About 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol

2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 91512978) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID91512978
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCCNC1(CCO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-11-10(8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3
InChIKeyCZINNYDWQHKNNE-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70006133
3-[2-(Ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 70333084
5-amino-1-[[(1R)-4-butan-2-ylcyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
CID 70892611
3-(3-Hydroxypropylamino)-3-prop-2-enylhex-5-en-1-ol
CID 87685914
(4Z,6Z)-3,8-dimethyl-8-(methylamino)nona-4,6-dien-1-ol
CID 89192989
3-(Cyclohexa-1,5-dien-1-ylmethylamino)propan-1-ol
CID 91280225
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140710939
2-(2-methyl-1H-pyridin-2-yl)ethanol
CID 141375211
1-(Cyclohexa-2,4-dien-1-ylamino)-2-methylbutan-1-ol
CID 144663288
2-(1,2-Diethyl-2-pyridinyl)ethanol
CID 146193295
2-[1-Amino-4-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-yl]ethanol
CID 153772178
2-[1-Amino-4-(2-aminoethylamino)cyclohexa-2,4-dien-1-yl]ethanol
CID 153990087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol (CID 91512978) is 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol is CCNC1(CCO)C=CC=CC1.
What is the InChIKey of 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is CZINNYDWQHKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11-10(8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3.
What are the key properties of 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol?
2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 91512978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).