6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol

C12H18N2O — CID 175243775

IUPAC6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
SMILESCC=C1C=C(C=C(N)CCN)C(O)=CC1
InChIInChI=1S/C12H18N2O/c1-2-9-3-4-12(15)10(7-9)8-11(14)5-6-13/h2,4,7-8,15H,3,5-6,13-14H2,1H3
InChIKeyLGPKGBLQFHBRGJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds3

About 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol

6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol (PubChem CID 175243775) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
PubChem CID175243775
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
SMILESCC=C1C=C(C=C(N)CCN)C(O)=CC1
InChIInChI=1S/C12H18N2O/c1-2-9-3-4-12(15)10(7-9)8-11(14)5-6-13/h2,4,7-8,15H,3,5-6,13-14H2,1H3
InChIKeyLGPKGBLQFHBRGJ-UHFFFAOYSA-N
XLogP1.90
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol (CID 175243775) is 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol is CC=C1C=C(C=C(N)CCN)C(O)=CC1.
What is the InChIKey of 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is LGPKGBLQFHBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-9-3-4-12(15)10(7-9)8-11(14)5-6-13/h2,4,7-8,15H,3,5-6,13-14H2,1H3.
What are the key properties of 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diaminobut-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175243775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).