2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine

C13H19N — CID 89394718

IUPAC2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine
SMILESCC1CCC(C2C=CC=CC2)=C(N)C1
InChIInChI=1S/C13H19N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-5,10-11H,6-9,14H2,1H3
InChIKeyHLLJECKHMUCOJI-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.15
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine

2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine (PubChem CID 89394718) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine
PubChem CID89394718
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine
SMILESCC1CCC(C2C=CC=CC2)=C(N)C1
InChIInChI=1S/C13H19N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-5,10-11H,6-9,14H2,1H3
InChIKeyHLLJECKHMUCOJI-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine (CID 89394718) is 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine is CC1CCC(C2C=CC=CC2)=C(N)C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine?
The InChIKey is HLLJECKHMUCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-5,10-11H,6-9,14H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine?
2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-5-methylcyclohexen-1-amine is sourced from PubChem (CID 89394718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).