ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol

C10H17NO — CID 89017638

IUPACethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESCCNC(O)C1C=CC=C[C@@H]1C
InChIInChI=1S/C10H17NO/c1-3-11-10(12)9-7-5-4-6-8(9)2/h4-12H,3H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeySIPJUBGCIGMMPS-IDKOKCKLSA-N
MW167.25 g/mol
LogP1.29
Rot. Bonds3

About ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol

ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 89017638) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Nameethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID89017638
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESCCNC(O)C1C=CC=C[C@@H]1C
InChIInChI=1S/C10H17NO/c1-3-11-10(12)9-7-5-4-6-8(9)2/h4-12H,3H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeySIPJUBGCIGMMPS-IDKOKCKLSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.29
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

2-[(3S)-3-fluorocyclohexa-1,5-dien-1-yl]-1-(methylamino)ethanol
CID 89352308
1-[[4-(Aminomethyl)cyclohexa-1,5-dien-1-yl]methylamino]ethanol
CID 88993572
1-[4-(Methylaminomethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol
CID 90711183
2-[(6-Methylcyclohexa-2,4-dien-1-yl)methylamino]ethanol
CID 129037184
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140710939
1-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140773904
Amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol
CID 143624569
(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol
CID 143707490
1-(Cyclohexa-2,4-dien-1-ylmethylamino)-4-[ethyl(methyl)amino]butan-1-ol
CID 143814001
1-(Cyclohexa-2,4-dien-1-ylamino)-2-methylbutan-1-ol
CID 144663288
(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol
CID 145138540
(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol
CID 145138578

Frequently Asked Questions

What is the IUPAC name of ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol (CID 89017638) is ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol is CCNC(O)C1C=CC=C[C@@H]1C.
What is the InChIKey of ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is SIPJUBGCIGMMPS-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-11-10(12)9-7-5-4-6-8(9)2/h4-12H,3H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol?
ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 89017638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).