4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine

C13H19NO — CID 142905018

IUPAC4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESC=CC(=C)C1(C)C=C(OC)C(NC)=CC1
InChIInChI=1S/C13H19NO/c1-6-10(2)13(3)8-7-11(14-4)12(9-13)15-5/h6-7,9,14H,1-2,8H2,3-5H3
InChIKeyJXFKMZHWJLMOBH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds4

About 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine

4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 142905018) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID142905018
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESC=CC(=C)C1(C)C=C(OC)C(NC)=CC1
InChIInChI=1S/C13H19NO/c1-6-10(2)13(3)8-7-11(14-4)12(9-13)15-5/h6-7,9,14H,1-2,8H2,3-5H3
InChIKeyJXFKMZHWJLMOBH-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine (CID 142905018) is 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine is C=CC(=C)C1(C)C=C(OC)C(NC)=CC1.
What is the InChIKey of 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is JXFKMZHWJLMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-10(2)13(3)8-7-11(14-4)12(9-13)15-5/h6-7,9,14H,1-2,8H2,3-5H3.
What are the key properties of 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yl-6-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142905018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).