2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol

C12H19NO — CID 174692231

IUPAC2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol
SMILESCCCC=C1C=CC(C)(O)C(N)=C1C
InChIInChI=1S/C12H19NO/c1-4-5-6-10-7-8-12(3,14)11(13)9(10)2/h6-8,14H,4-5,13H2,1-3H3
InChIKeyVKIVGLXFMOTMAH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol

2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol (PubChem CID 174692231) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol
PubChem CID174692231
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol
SMILESCCCC=C1C=CC(C)(O)C(N)=C1C
InChIInChI=1S/C12H19NO/c1-4-5-6-10-7-8-12(3,14)11(13)9(10)2/h6-8,14H,4-5,13H2,1-3H3
InChIKeyVKIVGLXFMOTMAH-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol (CID 174692231) is 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol is CCCC=C1C=CC(C)(O)C(N)=C1C.
What is the InChIKey of 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol?
The InChIKey is VKIVGLXFMOTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-10-7-8-12(3,14)11(13)9(10)2/h6-8,14H,4-5,13H2,1-3H3.
What are the key properties of 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol?
2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 174692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).