5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol

C14H23NO2 — CID 163436957

IUPAC5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(/C=C\C(C)N)C(C)(O)C(C)C(C)=C1O
InChIInChI=1S/C14H23NO2/c1-8(15)6-7-12-10(3)13(16)9(2)11(4)14(12,5)17/h6-8,11,16-17H,15H2,1-5H3/b7-6-
InChIKeyAVHVPLCFZAQNPG-SREVYHEPSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds2

About 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol

5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol (PubChem CID 163436957) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol
PubChem CID163436957
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(/C=C\C(C)N)C(C)(O)C(C)C(C)=C1O
InChIInChI=1S/C14H23NO2/c1-8(15)6-7-12-10(3)13(16)9(2)11(4)14(12,5)17/h6-8,11,16-17H,15H2,1-5H3/b7-6-
InChIKeyAVHVPLCFZAQNPG-SREVYHEPSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol with MolForge

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Related Compounds

4-[(2S)-2-amino-3-methylbut-3-enyl]cyclohexa-1,5-dien-1-ol
CID 68397503
m-Diethyl-aminophenol
CID 69344032
6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 69782313
4-[(Z)-6-amino-5-hydroxy-7-methyl-2-methylideneoct-3-enyl]-3,5-dimethylcyclohexa-1,5-dien-1-ol
CID 89022093
6-Amino-1,4-diethylcyclohexa-2,4-dien-1-ol
CID 129636273
(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
CID 143361098
6-Amino-1,4-dibutylcyclohexa-2,4-dien-1-ol
CID 153805859
6-Amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol
CID 154156951
6-Amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 154278851

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol (CID 163436957) is 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol is CC1=C(/C=C\C(C)N)C(C)(O)C(C)C(C)=C1O.
What is the InChIKey of 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is AVHVPLCFZAQNPG-SREVYHEPSA-N. The full InChI is InChI=1S/C14H23NO2/c1-8(15)6-7-12-10(3)13(16)9(2)11(4)14(12,5)17/h6-8,11,16-17H,15H2,1-5H3/b7-6-.
What are the key properties of 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol?
5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 237.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 163436957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).