3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine

C13H19NO — CID 141424891

IUPAC3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
SMILESCNC1C=C(C2C=CC=C2)CCC1OC
InChIInChI=1S/C13H19NO/c1-14-12-9-11(7-8-13(12)15-2)10-5-3-4-6-10/h3-6,9-10,12-14H,7-8H2,1-2H3
InChIKeyYMOUMAZQCISUAC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.05
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine

3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine (PubChem CID 141424891) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
PubChem CID141424891
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
SMILESCNC1C=C(C2C=CC=C2)CCC1OC
InChIInChI=1S/C13H19NO/c1-14-12-9-11(7-8-13(12)15-2)10-5-3-4-6-10/h3-6,9-10,12-14H,7-8H2,1-2H3
InChIKeyYMOUMAZQCISUAC-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine (CID 141424891) is 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine is CNC1C=C(C2C=CC=C2)CCC1OC.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine?
The InChIKey is YMOUMAZQCISUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-12-9-11(7-8-13(12)15-2)10-5-3-4-6-10/h3-6,9-10,12-14H,7-8H2,1-2H3.
What are the key properties of 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine?
3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 141424891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).